TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 178.188 | Formula: C9H10N2O2
H donors: 2 H acceptors: 2 LogP: 0.98 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)cc2c1[nH]c(=O)n2O
InChi: 1S/C9H10N2O2/c1-5-3-6(2)8-7(4-5)11(13)9(12)10-8/h3-4,13H,1-2H3,(H,10,12)
InChiKey: VEOOGZZBQWNLSL-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Sus scrofa	D-amino-acid oxidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma mansoni	d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma japonicum	ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium ulcerans	D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	347 aa	376 aa	25.5 %
Candida albicans	similar to putative d-amino acid oxidase	D-amino-acid oxidase	347 aa	390 aa	23.3 %
Onchocerca volvulus	Unconventional prefoldin RPB5 interactor 1 homolog	D-amino-acid oxidase	347 aa	351 aa	30.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0091	0.2882	0.788
Echinococcus granulosus	methyl CpG binding domain protein 2	0.002	0.0139	0.038
Schistosoma mansoni	hypothetical protein	0.0018	0.0082	0.0119
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0055	0.1478	0.4042
Brugia malayi	chromobox protein homolog 3	0.0045	0.1126	0.1293
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0069	0.2052	0.5611
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.2882	1
Onchocerca volvulus	Alhambra homolog	0.0034	0.0682	0.0682
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0091	0.2882	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2547	0.2924
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	0.4187
Brugia malayi	Pre-SET motif family protein	0.0242	0.871	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0082	0.0094
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.3657	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1095	0.1258
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.1194	0.3265
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0583	0.2022
Schistosoma mansoni	hypothetical protein	0.0018	0.006	0.0088
Giardia lamblia	PHD finger protein 15	0.0034	0.0682	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	1
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.1194	0.3265
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.2777	0.4035
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1126	0.1293
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	1
Schistosoma mansoni	chromobox protein	0.0081	0.2499	0.3632
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0091	0.2882	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0082	0.0119
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0682	0.2366
Brugia malayi	Bromodomain containing protein	0.0037	0.0788	0.0905
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0986	0.2696
Brugia malayi	jmjC domain containing protein	0.0043	0.1043	0.1197
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0385	0.1054
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0583	0.2022
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0069	0.2052	0.5611
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0048	0.1225	0.1779
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.1674	0.2675
Brugia malayi	PHD-finger family protein	0.0029	0.0492	0.0564
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.2499	0.2008
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0031	0.0583	0.0847
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.1674	0.2431
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0082	0.0223
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0682	0.2366
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.1043	0.1197
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.1674	0.2675
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0082	0.0223
Echinococcus multilocularis	zinc finger protein	0.0023	0.0252	0.069
Echinococcus multilocularis	chromobox protein 1	0.0081	0.2499	0.6834
Loa Loa (eye worm)	hypothetical protein	0.005	0.1287	0.1478
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0082	0.0094
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.002	0.0139	0.038
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0082	0.0223
Echinococcus granulosus	chromobox protein 1	0.0081	0.2499	0.6834
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0713	0.1036
Trypanosoma cruzi	ISWI complex protein	0.0018	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1616	0.1856
Loa Loa (eye worm)	hypothetical protein	0.004	0.0903	0.1037
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0903	0.1037
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.1043	0.1515
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.1674	0.4576
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0139	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1202	0.1379
Loa Loa (eye worm)	PHD-finger family protein	0.0024	0.03	0.0344
Brugia malayi	Bromodomain containing protein	0.0087	0.2738	0.3144
Echinococcus multilocularis	chromobox protein 1	0.0081	0.2499	0.6834
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0082	0.0094
Onchocerca volvulus		0.0048	0.1225	0.1225
Brugia malayi	Heterochromatin protein 1	0.0081	0.2499	0.287
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0195	0.6883	1
Brugia malayi	jmjC domain containing protein	0.0111	0.3657	0.4199
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0682	0.0783
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0682	0.2366
Plasmodium vivax	SET domain protein, putative	0.0035	0.0713	0.2475
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0986	0.2696
Schistosoma mansoni	d-amino acid oxidase	0.0195	0.6883	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0682	0.2366
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.1259	0.1259
Schistosoma mansoni	zinc finger protein	0.0023	0.0252	0.0367
Onchocerca volvulus		0.0036	0.0748	0.0748
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0082	0.0223
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.1259	0.0687
Schistosoma mansoni	hypothetical protein	0.0018	0.0082	0.0119
Schistosoma mansoni	hypothetical protein	0.0024	0.03	0.0435
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.473	0.543
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.161	0.1849
Schistosoma mansoni	hypothetical protein	0.004	0.0903	0.1312
Trypanosoma cruzi	ISWI complex protein	0.0018	0.006	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.1043	0.1515
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0682	0.0783
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0664	0.1815
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.161	0.1849
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0682	0.1864
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0682	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0058	0.161	0.1849
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1126	0.0545
Brugia malayi	MH2 domain containing protein	0.0139	0.473	0.543
Schistosoma mansoni	bromodomain containing protein	0.0074	0.2213	0.3215
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.1043	0.2851
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0682	0.1864
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0091	0.2882	0.4187
Schistosoma mansoni	peptidase Clp (S14 family)	0.0091	0.2882	0.4187
Brugia malayi	Bromodomain containing protein	0.0045	0.1092	0.1254
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.2499	0.287
Toxoplasma gondii	hypothetical protein	0.0031	0.0583	0.2022
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	0.4187
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.871	1
Trypanosoma brucei	ISWI complex protein	0.0018	0.006	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.473	0.543
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0385	0.1054
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0167	0.0191
Echinococcus granulosus	zinc finger protein	0.0023	0.0252	0.069
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0713	0.195
Schistosoma mansoni	hypothetical protein	0.0018	0.0082	0.0119
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0082	0.0094
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0055	0.1478	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0195	0.6883	0.7902
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	0.5
Schistosoma mansoni	zinc finger protein	0.0018	0.006	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1478	0.1697
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.1674	0.4576
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.2499	0.2008
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0091	0.2882	0.788
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0713	0.2475
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.161	0.1849
Brugia malayi	Pre-SET motif family protein	0.0035	0.0713	0.0819
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0179	0.6257	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.3657	1
Brugia malayi	Probable ClpP-like protease	0.0091	0.2882	0.3309
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0957	0.2617
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0385	0.056
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0139	0.0202
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0091	0.2882	1
Echinococcus granulosus	peregrin	0.0037	0.0788	0.2155
Schistosoma mansoni	hypothetical protein	0.0034	0.0682	0.0991
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1126	0.0545
Echinococcus granulosus	GPCR family 2	0.0018	0.0082	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2882	0.3309
Echinococcus granulosus	chromobox protein 1	0.0081	0.2499	0.6834
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.1259	0.0687
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.2074	0.2382
Brugia malayi	PHD-finger family protein	0.0034	0.0682	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0748	0.0858
Schistosoma mansoni	chromobox protein	0.0081	0.2499	0.3632
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0195	0.6883	1
Leishmania major	hypothetical protein, conserved	0.0018	0.006	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0082	0.0223
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0055	0.1478	0.2148
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.1126	0.1126
Echinococcus granulosus	histone lysine methyltransferase setb	0.0055	0.1478	0.4042
Echinococcus multilocularis	peregrin	0.0037	0.0788	0.2155

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4 uM	Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay	ChEMBL.	23243487
IC50 (binding)	= 20 uM	Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay	ChEMBL.	23243487

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2152733

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1723415