SCHEMBL874763

SCHEMBL874763

COCCNC(=O)c1sc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)nc1NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.43
HDAC1 Q13547 1/20 0.43
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
GAS6 Q14393 2/20 0.38
ROCK2 O75116 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.36
BTK Q06187 1/20 0.36
PPARA Q07869 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
SCHEMBL875487 0.88 HDAC1 (0.45) NAMPTHDAC1ROCK2ALDH1A1POLB
SCHEMBL875947 0.86 PPARA (0.49) NAMPTHDAC1ALDH1A1POLBSMN1; SMN2
SCHEMBL875702 0.82 NAMPT (0.44) NAMPTHDAC1ROCK2ALDH1A1POLB
SCHEMBL875577 0.77 HDAC1 (0.43) NAMPTHDAC1FLT3TYRO3MERTK
SCHEMBL875591 0.77 NAMPT (0.46) NAMPTHDAC1PPARA
SCHEMBL874755 0.76 NAMPT (0.47) NAMPTHDAC1POLB
SCHEMBL874757 0.76 HDAC1 (0.44) NAMPTHDAC1ROCK2
SCHEMBL3050217 0.76 HDAC1 (0.47) NAMPTHDAC1FLT3TYRO3MERTK
SCHEMBL874752 0.75 NAMPT (0.52) NAMPTHDAC1ALDH1A1POLBSMN1; SMN2
SCHEMBL3048653 0.75 TYRO3 (0.51) FLT3TYRO3MERTKGAS6

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