TDR Targets

Basic information

Technical information

TDR Targets ID: 807863
Name: 2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindol e-1,3-dione
MW: 306.272 | Formula: C17H10N2O4
H donors: 0 H acceptors: 3 LogP: 1.97 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(Cc2nc3ccccc3c(=O)o2)C(=O)c2c1cccc2
InChi: 1S/C17H10N2O4/c20-15-10-5-1-2-6-11(10)16(21)19(15)9-14-18-13-8-4-3-7-12(13)17(22)23-14/h1-8H,9H2
InChiKey: FEXWXVYNEWKTKL-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

2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindoline-1,3-dione
2-[(4-keto-3,1-benzoxazin-2-yl)methyl]isoindoline-1,3-quinone
97118-79-1
Oprea1_473452
1H-Isoindole-1,3(2H)-dione, 2-((4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
2-((4-Oxo-4H-3,1-benzoxazin-2-yl)methyl)-1H-isoindole-1,3(2H)-dione
BRN 4760593
EU-0051029
BIM-0014718.P001
ZINC00048928
A0835/0039154
2-[(4-Oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
4H-Benzo[d][1,3]-oxazin-4-one, 2-[1,3(1H,3H)-dioxoisoindol-2-ylmethyl]-
CBMicro_014680

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0098	0.2159	0.216
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.1573	0.1573
Schistosoma mansoni	cellular tumor antigen P53	0.0053	0.0838	0.0839
Onchocerca volvulus	Huntingtin homolog	0.013	0.3081	1
Onchocerca volvulus		0.0029	0.0147	0.0478
Echinococcus granulosus	sodium:glucose cotransporter	0.0041	0.0496	0.0496
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.015	0.3653	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0059	0.1014	0.1014
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0098	0.2159	0.4737
Brugia malayi	hypothetical protein	0.0162	0.3989	0.3992
Brugia malayi	hypothetical protein	0.013	0.3081	0.3083
Schistosoma mansoni	sodium/solute symporter	0.0041	0.0496	0.0497
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Schistosoma mansoni	hypothetical protein	0.0078	0.1573	0.1574
Onchocerca volvulus		0.0053	0.0838	0.2719
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.015	0.3653	0.3653
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0147	0.0147
Echinococcus multilocularis	high affinity choline transporter 1	0.0369	0.9992	0.9992
Schistosoma mansoni	lamin	0.0029	0.0147	0.0147
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.2985	0.2987
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0496	0.0497
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0149	0.3628	0.363
Echinococcus multilocularis	expressed protein	0.0369	1	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.015	0.3653	0.3656
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.015	0.3653	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.0147	0.0147
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0041	0.0496	0.0496
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0103	0.2311	0.2312
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.015	0.3653	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0098	0.2159	0.2159
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.015	0.3653	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.3989	0.3992
Echinococcus granulosus	lamin dm0	0.0029	0.0147	0.0147
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0098	0.2159	0.2159
Schistosoma mansoni	inositol transporter	0.0041	0.0496	0.0497
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.015	0.3653	0.3656
Echinococcus granulosus	lamin	0.0029	0.0147	0.0147
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0147	0.0147
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.015	0.3653	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.015	0.3653	0.3653
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Brugia malayi	PAS domain containing protein	0.0048	0.0711	0.0712
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.015	0.3653	0.5
Schistosoma mansoni	hypothetical protein	0.018	0.4522	0.4526
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.015	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0132	0.0132
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0103	0.2311	0.2312
Echinococcus multilocularis	musashi	0.0029	0.0147	0.0147
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.015	0.3653	0.3653
Brugia malayi	GH02984p	0.0369	0.9992	1
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.015	0.3653	0.5
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.015	0.3653	0.3656
Echinococcus granulosus	geminin	0.018	0.4522	0.4522
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0147	0.0147
Echinococcus multilocularis	solute carrier family 5	0.0041	0.0496	0.0496
Echinococcus multilocularis	lamin dm0	0.0029	0.0147	0.0147
Onchocerca volvulus	Huntingtin homolog	0.013	0.3081	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Echinococcus granulosus	tumor protein p63	0.0359	0.9694	0.9694
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.015	0.3653	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0098	0.2156	0.4996
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0041	0.0496	0.0496
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0098	0.2159	0.4737
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0041	0.0496	0.0496
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.015	0.3653	1
Brugia malayi	hypothetical protein	0.0078	0.1573	0.1574
Echinococcus granulosus	single minded 2	0.0036	0.035	0.035
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.015	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0838	0.0839
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0041	0.0496	0.0496
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.015	0.3653	1
Schistosoma mansoni	inositol transporter	0.0041	0.0496	0.0497
Loa Loa (eye worm)	hypothetical protein	0.013	0.3081	0.3083
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0052	0.0816	0.5
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.015	0.3653	0.5
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0052	0.0816	0.5
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0041	0.0496	0.0496
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.015	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.3081	0.3083
Echinococcus multilocularis	geminin	0.018	0.4522	0.4522
Echinococcus multilocularis	lamin	0.0029	0.0147	0.0147
Schistosoma mansoni	lipoxygenase	0.0059	0.1014	0.1015
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.015	0.3653	0.3656
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.015	0.3653	0.5
Schistosoma mansoni	lamin	0.0029	0.0147	0.0147
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0059	0.1014	0.1014
Echinococcus granulosus	solute carrier family 5	0.0041	0.0496	0.0496
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0098	0.2159	0.216
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0041	0.0496	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2159	0.216
Echinococcus multilocularis	tumor protein p63	0.0359	0.9694	0.9694
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0046	0.0662	0.0662
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.1573	0.1574
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.015	0.3653	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.2985	0.2987
Onchocerca volvulus		0.0041	0.0496	0.1611
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.035	0.035
Onchocerca volvulus		0.0036	0.035	0.1134
Schistosoma mansoni	single-minded	0.0048	0.0711	0.0712
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0147	0.0147
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.015	0.3653	1
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.015	0.3653	0.5
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0052	0.0814	0.0814
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.0711	0.0712
Brugia malayi	intermediate filament protein	0.0029	0.0147	0.0147
Schistosoma mansoni	high-affinity choline transporter	0.0369	0.9992	1
Brugia malayi	MH2 domain containing protein	0.0127	0.2985	0.2987
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.015	0.3653	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.1573	0.1573
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Schistosoma mansoni	hypothetical protein	0.018	0.4522	0.4526
Echinococcus granulosus	high affinity choline transporter 1	0.0369	0.9992	0.9992
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.035	0.035
Onchocerca volvulus		0.0029	0.0147	0.0478
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Loa Loa (eye worm)	hypothetical protein	0.0369	0.9992	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0098	0.2156	0.4996
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.015	0.3653	1
Brugia malayi	hypoxia-induced factor 1	0.0149	0.3628	0.363
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.015	0.3653	0.3656
Brugia malayi	Sodium:solute symporter family protein	0.0041	0.0496	0.0497
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.015	0.3653	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.015	0.3653	0.3653
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0147	0.0147

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 807863