SCHEMBL169422

SCHEMBL169422

CCCSc1ccc(C2=CCCN(C=O)C2)nc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL13490644 0.77 CCR1 (0.42) CHRM2CHRM3
SCHEMBL169361 0.75 CDK13 (0.34)
SCHEMBL13592737 0.75 CHRM2 (0.31) CHRM2CHRM3
SCHEMBL171305 0.70 HRH3 (0.37)
SCHEMBL13490404 0.65 CHRM1 (0.32) CHRM2CHRM3
SCHEMBL13490678 0.60 CHRM2 (0.37) CHRM2CHRM3
SCHEMBL11265059 0.58 KDM4E (0.51) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL25813010 0.58 CA12 (0.42) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL25813014 0.58 HCAR3 (0.40) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL13397872 0.57 CA12 (0.61) KDM4ENPC1ALDH1A1LMNAMAPT

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
EP-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed