SCHEMBL7402697

SCHEMBL7402697

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)C2CC(CCCCNC3=NCCN3)=NO2)C(=O)O)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.69
ITGA2B P08514 17/20 0.69
ITGAV P06756 17/20 0.69

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
SCHEMBL7406614 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7405908 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7401807 0.84 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7402311 0.83 ITGB3 (0.76) ITGB3ITGA2BITGAV
SCHEMBL7403679 0.80 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL8176082 0.78 ITGAV (0.65) ITGB3ITGA2BITGAV
SCHEMBL7403463 0.77 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7980601 0.76 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7349585 0.74 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7406830 0.73 ITGB3 (0.66) ITGB3ITGA2BITGAV

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
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
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