SCHEMBL7969225

SCHEMBL7969225

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(CCCNc3ccccn3)n[nH]c2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.51
ITGAV P06756 14/20 0.51
ITGA2B P08514 14/20 0.51
ITGB1 P05556 2/20 0.43
ITGA5 P08648 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7969226 0.89 ITGAV (0.58) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7982241 0.88 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7982819 0.87 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7969337 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7985983 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7969349 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7982169 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7982173 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL7986092 0.79 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL8684568 0.78 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGA5

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