SCHEMBL874577

SCHEMBL874577

CC(C)c1nn(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)cc1C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 2/20 0.39
PDE4B Q07343 11/20 0.38
HTR3A P46098 2/20 0.37
PDE4D Q08499 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL876377 0.77 CHRNA7 (0.47) CHRNA7KMT2ANPC1RAB9AF10
SCHEMBL876612 0.76 CHRNA7 (0.46) CHRNA7KMT2ANPC1RAB9AF10
SCHEMBL874498 0.73 ACKR3 (0.43) HTR3A
SCHEMBL874187 0.71 NPC1 (0.46) CHRNA7KMT2ANPC1RAB9AKDM4E
SCHEMBL10065068 0.71 ACKR3 (0.39) NPC1RAB9AHTR3AALDH1A1MAPT
SCHEMBL874291 0.71 CHRNA7 (0.39) CHRNA7KMT2ANPC1RAB9AKDM4E
SCHEMBL873877 0.70 CHRNA7 (0.42) CHRNA7NPC1RAB9AKDM4EALDH1A1
SCHEMBL874709 0.70 CA12 (0.43) KMT2AALDH1A1MAPT
SCHEMBL5516018 0.69 MAPT (0.58) CHRNA7KMT2ANPC1RAB9AKDM4E
SCHEMBL882752 0.69 NAMPT (0.46)

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