SCHEMBL874781

SCHEMBL874781

CCCCNC(=O)c1cc(-c2ccc(NC(=O)NCc3ccc(N)nc3)cc2)nn1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
NAMPT P43490 6/20 0.45
HDAC1 Q13547 4/20 0.45
CPB1 P15086 1/20 0.41
ROCK2 O75116 2/20 0.38
KDR P35968 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36
POLB P06746 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
SCHEMBL875615 0.90 NAMPT (0.45) HDAC6NAMPTHDAC1CPB1ROCK2
SCHEMBL875402 0.87 NAMPT (0.45) HDAC6NAMPTHDAC1CPB1ROCK2
SCHEMBL875709 0.85 NAMPT (0.44) HDAC6NAMPTHDAC1ROCK2
SCHEMBL875705 0.78 NAMPT (0.47) NAMPTHDAC1CPB1ROCK2POLB
SCHEMBL874907 0.77 NAMPT (0.47) NAMPTHDAC1
SCHEMBL875445 0.76 NAMPT (0.46) NAMPTHDAC1
SCHEMBL875016 0.76 NAMPT (0.41) NAMPTHDAC1CPB1ROCK2KDR
SCHEMBL3048653 0.74 TYRO3 (0.51)
SCHEMBL875943 0.71 NAMPT (0.48) NAMPTHDAC1POLB
SCHEMBL874894 0.71 NAMPT (0.46) 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