SCHEMBL874398

SCHEMBL874398

CNC(=O)c1sc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.50
HDAC1 Q13547 2/20 0.48
PPARA Q07869 9/20 0.48
PPARG P37231 4/20 0.46
PPARD Q03181 2/20 0.46
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL874692 0.90 NAMPT (0.53) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL874752 0.89 NAMPT (0.52) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL10069647 0.86 NAMPT (0.47) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL10069703 0.81 NAMPT (0.45) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL875591 0.81 NAMPT (0.46) NAMPTHDAC1PPARA
SCHEMBL875947 0.79 PPARA (0.49) NAMPTHDAC1PPARAPPARGPPARD
SCHEMBL874891 0.78 HDAC1 (0.50) NAMPTHDAC1
SCHEMBL874665 0.77 GAA (0.52) HDAC1PPARAPPARGPPARDNPC1
SCHEMBL874266 0.75 NAMPT (0.49) NAMPTHDAC1PPARA
SCHEMBL875487 0.74 HDAC1 (0.45) NAMPTHDAC1PPARAALDH1A1

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