SCHEMBL7863252

SCHEMBL7863252

O=C(O)CC(c1cc(F)cc(F)c1)c1cccc(NS(=O)(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.58
ITGAV P06756 6/20 0.58
NAMPT P43490 7/20 0.52
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GHSR Q92847 1/20 0.42
EEF2K O00418 1/20 0.42

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
SCHEMBL7856514 0.93 ITGB3 (0.64) ITGB3ITGAVNAMPTCA12CA1
SCHEMBL7863080 0.91 ALDH1A1 (0.53) ITGB3ITGAVNAMPTRAB9AMAOB
SCHEMBL7856528 0.83 MEN1 (0.43) ITGB3ITGAVMAPTCA1CA2
SCHEMBL7863156 0.81 EEF2K (0.41) ITGB3ITGAVMAPTEEF2K
SCHEMBL7863160 0.81 EEF2K (0.41) ITGB3ITGAVMAPTEEF2K
SCHEMBL7861960 0.81 THRB (0.41) ITGB3ITGAVMAPTCA1CA2
SCHEMBL7861962 0.81 THRB (0.41) ITGB3ITGAVMAPTCA1CA2
SCHEMBL7856493 0.80 NAMPT (0.53) ITGB3ITGAVNAMPTMAPTGHSR
SCHEMBL7861775 0.79 EEF2K (0.43) ITGB3ITGAVPOLBMAPTCA1
SCHEMBL7864272 0.79 NAMPT (0.58) ITGB3ITGAVNAMPTCA12CA1

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