SCHEMBL875577

SCHEMBL875577

CCCCc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)sc1C(=O)NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
NAMPT P43490 11/20 0.43
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
DGAT1 O75907 1/20 0.38
KLKB1 P03952 1/20 0.37
POLB P06746 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL875702 0.87 NAMPT (0.44) HDAC1NAMPTPOLBMAPKAPK2
SCHEMBL874795 0.85 NAMPT (0.47) HDAC1NAMPT
SCHEMBL875591 0.82 NAMPT (0.46) HDAC1NAMPTDGAT1KLKB1
SCHEMBL874757 0.82 HDAC1 (0.44) HDAC1NAMPTDGAT1KLKB1
SCHEMBL874763 0.77 NAMPT (0.43) HDAC1NAMPTPOLBFLT3TYRO3
SCHEMBL874752 0.76 NAMPT (0.52) HDAC1NAMPTPOLB
SCHEMBL3048653 0.74 TYRO3 (0.51) FLT3TYRO3MERTKGAS6
SCHEMBL875947 0.73 PPARA (0.49) HDAC1NAMPTPOLB
SCHEMBL874398 0.73 NAMPT (0.50) HDAC1NAMPT
SCHEMBL3050217 0.73 HDAC1 (0.47) HDAC1NAMPTFLT3TYRO3MERTK

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