SCHEMBL7404992

SCHEMBL7404992

O=C(O)C(CNC(=O)C1CC(CCCCNc2ncc[nH]2)NO1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66
ITGA2B P08514 20/20 0.66

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
SCHEMBL7982746 0.96 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7396784 0.95 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7402818 0.91 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7402084 0.88 ITGAV (0.67) ITGB3ITGAVITGA2B
SCHEMBL7402219 0.87 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7403933 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL7405719 0.86 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL7986014 0.85 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7404638 0.83 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7403338 0.83 ITGB3 (0.62) ITGB3ITGAVITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed