SCHEMBL875591

SCHEMBL875591

Nc1ccc(CNC(=O)Nc2ccc(-c3nc(C(F)(F)C(F)(F)F)c(C(=O)NC4CC4)s3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.46
HDAC1 Q13547 3/20 0.45
PPARA Q07869 1/20 0.39
DGAT1 O75907 4/20 0.39
KLKB1 P03952 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL10069703 0.84 NAMPT (0.45) NAMPTHDAC1PPARA
SCHEMBL874757 0.83 HDAC1 (0.44) NAMPTHDAC1DGAT1KLKB1
SCHEMBL875577 0.82 HDAC1 (0.43) NAMPTHDAC1DGAT1KLKB1
SCHEMBL874398 0.81 NAMPT (0.50) NAMPTHDAC1PPARA
SCHEMBL874692 0.80 NAMPT (0.53) NAMPTHDAC1PPARA
SCHEMBL874730 0.79 NPC1 (0.39) PPARA
SCHEMBL874763 0.77 NAMPT (0.43) NAMPTHDAC1PPARA
SCHEMBL874752 0.75 NAMPT (0.52) NAMPTHDAC1PPARA
SCHEMBL10069647 0.75 NAMPT (0.47) NAMPTHDAC1PPARA
SCHEMBL3050217 0.74 HDAC1 (0.47) 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 2 patents. 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
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed