SCHEMBL7864314

SCHEMBL7864314

N#CN=C(N)Nc1cccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.58
ITGAV P06756 12/20 0.58
EEF2K O00418 4/20 0.54
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7864311 1.00 ITGB3 (0.58) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL7863260 0.87 ITGB3 (0.47) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL7863178 0.87 ITGB3 (0.47) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL5878214 0.81 ITGB3 (0.77) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL5878211 0.81 ITGB3 (0.77) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL7864316 0.80 GBA1 (0.41) ITGB3ITGAVL3MBTL1ALDH1A1
SCHEMBL5878018 0.80 ITGB3 (0.77) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL5878024 0.80 ITGB3 (0.77) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL6366667 0.80 ITGB3 (0.60) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL6368255 0.78 ITGB3 (0.58) ITGB3ITGAVEEF2KATML3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed