SCHEMBL874692

SCHEMBL874692

Nc1ccc(CNC(=O)Nc2ccc(-c3nc(C(F)(F)F)c(C(=O)O)s3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.53
HDAC1 Q13547 3/20 0.48
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
CYP2C9 P11712 1/20 0.42
MTOR P42345 1/20 0.41
CSF1R P07333 1/20 0.40

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
SCHEMBL874398 0.90 NAMPT (0.50) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL10069647 0.87 NAMPT (0.47) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL10069703 0.80 NAMPT (0.45) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL875591 0.80 NAMPT (0.46) NAMPTHDAC1PPARA
SCHEMBL874752 0.80 NAMPT (0.52) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL875947 0.75 PPARA (0.49) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL873941 0.74 RAB9A (0.48) PPARAPPARGPPARD
SCHEMBL15030902 0.73 NPC1 (0.68) NAMPTHDAC1
SCHEMBL875487 0.73 HDAC1 (0.45) NAMPTHDAC1PPARAMTOR
SCHEMBL874757 0.72 HDAC1 (0.44) NAMPTHDAC1

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
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed