SCHEMBL7985983

SCHEMBL7985983

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2c(CCCNc3ccccn3)n[nH]c12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.46
ITGAV P06756 13/20 0.46
ITGA2B P08514 13/20 0.46
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7982741 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7355763 0.88 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7356042 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7979190 0.87 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL7969225 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7979200 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7982411 0.81 ITGB3 (0.42) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7982415 0.81 ITGB3 (0.42) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7985900 0.81 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8681923 0.78 ITGB3 (0.41) 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
EP-0939757-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Dupont Pharmaceuticals Company (US) 1999-09-08 EP claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed