SCHEMBL873630

SCHEMBL873630

CCCCc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)sc1C(=O)N(CC)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
CHRNA7 P36544 2/20 0.38
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL874618 0.85 NAMPT (0.41) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL873629 0.84 NAMPT (0.42) NAMPTCHRNA7BCHEACHEDRD2
SCHEMBL874536 0.81 NAMPT (0.45) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL874059 0.79 NAMPT (0.41) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL877181 0.79 NAMPT (0.40) NAMPTCHRNA7KDM4EMAPTHPGD
SCHEMBL882713 0.79 CYP3A4 (0.44) NAMPTKDM4EMAPTALDH1A1HPGD
SCHEMBL873658 0.78 NAMPT (0.39) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL875479 0.77 NAMPT (0.40) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL874516 0.77 NAMPT (0.39) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL873821 0.76 NAMPT (0.39) NAMPTCHRNA7RAB9AKDM4EMAPT

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-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed