SCHEMBL7980490

SCHEMBL7980490

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc2c(CCCNc3ncc[nH]3)n[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.63
ITGAV P06756 20/20 0.63
ITGA2B P08514 19/20 0.63

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
SCHEMBL7969251 0.90 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7982819 0.88 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7982241 0.86 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7346966 0.84 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7982721 0.84 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7979117 0.83 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7346960 0.82 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7982407 0.81 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7979126 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL7979123 0.78 ITGB3 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
EP-0939757-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Dupont Pharmaceuticals Company (US) 1999-09-08 EP disclosed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO disclosed