SCHEMBL7969222

SCHEMBL7969222

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cccc3c(CCCNC4=NCCN4)nn(C)c23)C(=O)O)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.59
ITGB3 P05106 17/20 0.59
ITGA2B P08514 13/20 0.59

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
SCHEMBL7980570 0.95 ITGAV (0.53) ITGAVITGB3ITGA2B
SCHEMBL7980547 0.91 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL7969228 0.88 ITGB3 (0.47) ITGAVITGB3ITGA2B
SCHEMBL7969092 0.86 ITGAV (0.69) ITGAVITGB3ITGA2B
SCHEMBL7982253 0.86 ITGAV (0.69) ITGAVITGB3ITGA2B
SCHEMBL7969234 0.86 ITGAV (0.48) ITGAVITGB3ITGA2B
SCHEMBL7979281 0.86 ITGAV (0.59) ITGAVITGB3ITGA2B
SCHEMBL7969280 0.83 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL7982753 0.82 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL7979373 0.82 ITGAV (0.75) 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