SCHEMBL7356151

SCHEMBL7356151

Cc1cccc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2c1cnn2CCCNc1ccccn1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGAV P06756 20/20 0.70
ITGA2B P08514 16/20 0.68

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
SCHEMBL7985892 0.95 ITGAV (0.78) ITGB3ITGAVITGA2B
SCHEMBL7347222 0.94 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7349313 0.91 ITGAV (0.62) ITGB3ITGAVITGA2B
SCHEMBL7353336 0.91 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7985900 0.90 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7352205 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7985881 0.87 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7969149 0.85 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7986095 0.85 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7979430 0.83 ITGB3 (0.90) 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
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO disclosed