SCHEMBL7979190

SCHEMBL7979190

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cccc2c(CCCNC3=NCCN3)n[nH]c12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.47
ITGA2B P08514 14/20 0.47
ITGAV P06756 12/20 0.47
F2 P00734 2/20 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
SCHEMBL7985888 0.87 ITGAV (0.52) ITGB3ITGA2BITGAV
SCHEMBL7980530 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7985983 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7982741 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7979200 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7969337 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7982411 0.83 ITGB3 (0.42) ITGB3ITGA2BITGAV
SCHEMBL7983023 0.82 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7982415 0.81 ITGB3 (0.42) ITGB3ITGA2BITGAV
SCHEMBL8682045 0.79 ITGB3 (0.42) ITGB3ITGA2BITGAVF2

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 2 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