SCHEMBL7969277

SCHEMBL7969277

Cc1cccc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(CCCNC3NCCN3)nn(C)c2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.47
ITGB3 P05106 16/20 0.47
ITGA2B P08514 14/20 0.47

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
SCHEMBL7969099 0.94 ITGAV (0.50) ITGAVITGB3ITGA2B
SCHEMBL7969146 0.92 ITGAV (0.48) ITGAVITGB3ITGA2B
SCHEMBL7969210 0.91 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL7969205 0.89 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL7985842 0.89 ITGB3 (0.46) ITGAVITGB3ITGA2B
SCHEMBL7980578 0.86 ITGAV (0.42) ITGAVITGB3ITGA2B
SCHEMBL7969280 0.85 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL7985904 0.85 ITGAV (0.46) ITGAVITGB3ITGA2B
SCHEMBL7985901 0.84 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL7979486 0.83 ITGB3 (0.69) ITGAVITGB3ITGA2B

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