SCHEMBL7982086

SCHEMBL7982086

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1cccc2c1cnn2CCCNC1=NCCN1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.72
ITGAV P06756 20/20 0.72
ITGA2B P08514 13/20 0.58

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
SCHEMBL7979137 0.96 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7986095 0.91 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7980795 0.91 ITGAV (0.67) ITGB3ITGAVITGA2B
SCHEMBL7982879 0.89 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7979373 0.89 ITGAV (0.75) ITGB3ITGAVITGA2B
SCHEMBL7983023 0.87 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL7353336 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7349379 0.85 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7969107 0.84 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7982097 0.84 ITGB3 (0.55) 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 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