SCHEMBL7982259

SCHEMBL7982259

O=C(NCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O)c1ccc2c(cnn2CCCNC2=NCCN2)c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.80
ITGAV P06756 20/20 0.80
ITGA2B P08514 16/20 0.80

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
SCHEMBL7982502 0.92 ITGB3 (0.90) ITGB3ITGAVITGA2B
SCHEMBL7349379 0.90 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7982824 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7979502 0.89 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL7985848 0.88 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7980532 0.87 ITGB3 (0.81) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7979131 0.86 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7980795 0.86 ITGAV (0.67) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7979042 0.86 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7982738 0.85 ITGB3 (1.00) 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