SCHEMBL7982407

SCHEMBL7982407

Cn1nc(CCCNc2ncc[nH]2)c2ccc(C(=O)NCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C(=O)O)cc21

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGAV P06756 20/20 0.67
ITGA2B P08514 19/20 0.67

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
SCHEMBL7979486 0.89 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7980724 0.88 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7980652 0.88 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7980623 0.88 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL7985851 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982697 0.86 ITGB3 (0.64) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982693 0.86 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7969370 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7985842 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7980490 0.81 ITGB3 (0.63) 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