SCHEMBL7982097

SCHEMBL7982097

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1cccc2c1cnn2CCCNC1NCCN1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 16/20 0.55
ITGA2B P08514 18/20 0.49

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
SCHEMBL7979146 0.96 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7986101 0.90 ITGAV (0.64) ITGB3ITGAVITGA2B
SCHEMBL7980803 0.90 ITGAV (0.57) ITGB3ITGAVITGA2B
SCHEMBL7980504 0.90 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7982887 0.89 ITGAV (0.64) ITGB3ITGAVITGA2B
SCHEMBL7979382 0.88 ITGAV (0.71) ITGB3ITGAVITGA2B
SCHEMBL7980499 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7986085 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7983031 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7986081 0.85 ITGB3 (0.50) 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