SCHEMBL873609

SCHEMBL873609

CNC(=O)c1sc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL874482 0.82 CHRM4 (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL874483 0.81 RAB9A (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL874231 0.81 CHRNA7 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL874617 0.76 DRD2 (0.44) CHRNA7CYP3A4
SCHEMBL874618 0.74 NAMPT (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5516018 0.74 MAPT (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL875382 0.74 NPC1 (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL874665 0.73 GAA (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5531762 0.73 ALDH1A1 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14654129 0.73 CYP1A2 (0.71) MAPTMEN1KMT2AKDM4EALDH1A1

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