SCHEMBL874618

SCHEMBL874618

CCN(C(=O)c1sc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1C(F)(F)C(F)(F)F)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
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 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
SCHEMBL873630 0.85 NAMPT (0.41) NAMPTCHRNA7DRD2DRD3NPC1
SCHEMBL874617 0.82 DRD2 (0.44) NAMPTCHRNA7DRD2DRD3
SCHEMBL874536 0.81 NAMPT (0.45) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL874483 0.80 RAB9A (0.40) NAMPTCHRNA7DRD2DRD3NPC1
SCHEMBL874059 0.79 NAMPT (0.41) NAMPTCHRNA7DRD2DRD3NPC1
SCHEMBL874231 0.78 CHRNA7 (0.43) NAMPTCHRNA7DRD2DRD3NPC1
SCHEMBL877181 0.77 NAMPT (0.40) NAMPTCHRNA7DRD2DRD3KDM4E
SCHEMBL875479 0.77 NAMPT (0.40) NAMPTCHRNA7DRD2DRD3NPC1
SCHEMBL874516 0.77 NAMPT (0.39) NAMPTCHRNA7NPC1RAB9AKDM4E
SCHEMBL873658 0.76 NAMPT (0.39) NAMPTCHRNA7DRD2DRD3NPC1

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