SCHEMBL7969349

SCHEMBL7969349

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1ccc2c(CCCNC3NCCN3)n[nH]c2c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43
ITGAV P06756 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7982173 0.91 ITGB3 (0.41) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7982169 0.90 ITGB3 (0.41) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7969254 0.87 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7969337 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7346960 0.86 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL7979200 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7982241 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7969225 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7980538 0.79 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7969293 0.78 ITGB3 (0.43) ITGB3ITGA2BITGAV

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