SCHEMBL874482

SCHEMBL874482

O=C(Nc1ccc(-c2nc(C(F)(F)F)c(C(=O)NCCC3CCCCC3)s2)cc1)c1cc2cccnc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.42
NAMPT P43490 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNA7 P36544 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 2/20 0.37
PRMT3 O60678 2/20 0.37
ATM Q13315 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
SCHEMBL874483 0.83 RAB9A (0.40) NAMPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL873865 0.83 NAMPT (0.42) NAMPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL873609 0.82 MAPT (0.45) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL874617 0.81 DRD2 (0.44) NAMPTDRD2DRD3CHRNA7
SCHEMBL874231 0.80 CHRNA7 (0.43) NAMPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL873721 0.78 BCHE (0.39) NAMPTNPC1RAB9ADRD2DRD3
SCHEMBL874280 0.77 BCHE (0.39) NAMPTNPC1RAB9AALDH1A1CHRNA7
SCHEMBL875382 0.74 NPC1 (0.40) CHRM4NPC1RAB9AKDM4EALDH1A1
SCHEMBL874618 0.72 NAMPT (0.41) NAMPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL873629 0.72 NAMPT (0.42) NAMPTDRD2DRD3CHRNA7BCHE

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