SCHEMBL7980499

SCHEMBL7980499

O=C(NCC(NS(=O)(=O)c1ccccc1)C(=O)O)c1cccc2c1cnn2CCCNC1N=CCCN1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.52
ITGAV P06756 16/20 0.52
ITGA2B P08514 18/20 0.46

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
SCHEMBL7986081 0.97 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7980684 0.91 ITGAV (0.53) ITGB3ITGAVITGA2B
SCHEMBL7980493 0.91 ITGAV (0.60) ITGB3ITGAVITGA2B
SCHEMBL7980550 0.90 ITGAV (0.60) ITGB3ITGAVITGA2B
SCHEMBL7982230 0.89 ITGAV (0.67) ITGB3ITGAVITGA2B
SCHEMBL7982097 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7985877 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7982718 0.85 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7979146 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7985891 0.84 ITGB3 (0.69) 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