SCHEMBL6615756

SCHEMBL6615756

Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3O)cc2C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.42
▸ GCGR P47871 4/20 0.42
▸ GIPR P48546 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DDT P30046 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ DDR2 Q16832 1/20 0.39

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
SCHEMBL6615997 0.92 GCGR (0.45) NAMPTGCGRGIPRABL1NR1H4
SCHEMBL6616244 0.90 NAMPT (0.41) NAMPTNPC1RAB9ADDTNR1H4
SCHEMBL6616488 0.89 GCGR (0.43) NAMPTGCGRGIPRAURKARPS6KB1
SCHEMBL6619980 0.89 GCGR (0.45) NAMPTGCGRGIPRNPC1RAB9A
SCHEMBL6623315 0.89 KCNK3 (0.43) NAMPTNPC1RAB9ADDTNR1H4
SCHEMBL6616422 0.88 NAMPT (0.45) NAMPTGCGRGIPRABL1NR1H4
SCHEMBL6615051 0.88 SCN2A (0.42) NAMPTGCGRGIPRNPC1RAB9A
SCHEMBL6615889 0.88 TRPV1 (0.45) NAMPTGCGRGIPRABL1EPHX2
SCHEMBL6673259 0.87 NAMPT (0.41) NAMPTRAB9ADDTNR1H4MAPK14
SCHEMBL6616574 0.86 NR1H4 (0.42) NAMPTNPC1RAB9AAURKANR1H4

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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