SCHEMBL874231

SCHEMBL874231

O=C(Nc1ccc(-c2nc(C(F)(F)C(F)(F)F)c(C(=O)NC3CC3)s2)cc1)c1cc2cccnc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.43
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL874617 0.83 DRD2 (0.44) CHRNA7NAMPTDRD2DRD3
SCHEMBL873609 0.81 MAPT (0.45) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL875382 0.80 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL874482 0.80 CHRM4 (0.42) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL874618 0.78 NAMPT (0.41) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL874187 0.78 NPC1 (0.46) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL874730 0.77 NPC1 (0.39) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL874483 0.75 RAB9A (0.40) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL876377 0.73 CHRNA7 (0.47) CHRNA7NPC1RAB9AKMT2APOLB
SCHEMBL876612 0.72 CHRNA7 (0.46) CHRNA7NPC1RAB9AKMT2ARIPK1

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