SCHEMBL7980803

SCHEMBL7980803

O=C(NCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O)c1cccc2c1cnn2CCCNC1NCCN1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.57
ITGB3 P05106 19/20 0.57
ITGA2B P08514 17/20 0.52

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
SCHEMBL7986101 0.91 ITGAV (0.64) ITGAVITGB3ITGA2B
SCHEMBL7982097 0.90 ITGB3 (0.55) ITGAVITGB3ITGA2B
SCHEMBL7980687 0.90 ITGAV (0.53) ITGAVITGB3ITGA2B
SCHEMBL7979382 0.89 ITGAV (0.71) ITGAVITGB3ITGA2B
SCHEMBL7980684 0.89 ITGAV (0.53) ITGAVITGB3ITGA2B
SCHEMBL7979146 0.88 ITGB3 (0.53) ITGAVITGB3ITGA2B
SCHEMBL7982887 0.88 ITGAV (0.64) ITGAVITGB3ITGA2B
SCHEMBL7983031 0.87 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL7982270 0.85 ITGB3 (0.71) ITGAVITGB3ITGA2B
SCHEMBL7980795 0.85 ITGAV (0.67) 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