SCHEMBL7216436

SCHEMBL7216436

O=C([O-])CC(NC(=O)C[N+]1(CCCNc2nc3cccnc3[nH]2)C(=O)CNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.39
ITGAV P06756 19/20 0.39
ITGA2B P08514 2/20 0.38
ITGB5 P18084 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7212704 0.94 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211505 0.88 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL7211648 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217610 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211342 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211540 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217673 0.82 ALOX15 (0.31) ITGB3ITGAV
SCHEMBL7217767 0.81 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL7216491 0.80 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217515 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed