SCHEMBL7405908

SCHEMBL7405908

O=C(O)C(CNC(=O)C1CC(CCCNC2=NCCN2)=NO1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.51
ITGAV P06756 19/20 0.51
ITGA2B P08514 15/20 0.50

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 0.98 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7349585 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7402697 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7406830 0.82 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7401807 0.82 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7982740 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7398397 0.81 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7980601 0.80 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7982983 0.80 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7402569 0.79 ITGB3 (0.49) 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
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