SCHEMBL20068152

SCHEMBL20068152

CCOc1c(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cccc1OC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.69
GSK3A P49840 1/20 0.43
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NFE2L2 Q16236 3/20 0.36
POLB P06746 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL20068017 0.89 ACMSD (0.68) ACMSDKMT2AALDH1A1NFE2L2POLB
SCHEMBL20137895 0.89 ACMSD (0.68) ACMSDKMT2AALDH1A1NFE2L2POLB
SCHEMBL29528679 0.89 ACMSD (0.67) ACMSDKMT2AKDM4EALDH1A1HPGD
SCHEMBL20068151 0.89 ACMSD (0.67) ACMSDKMT2AKDM4EALDH1A1HPGD
SCHEMBL20068211 0.88 ACMSD (0.69) ACMSDKMT2AKDM4EALDH1A1HPGD
SCHEMBL29529176 0.88 ACMSD (0.84) ACMSDKMT2AHPGDNFE2L2POLB
SCHEMBL20137807 0.88 ACMSD (0.84) ACMSDKMT2AHPGDNFE2L2POLB
SCHEMBL20068050 0.88 ACMSD (0.84) ACMSDKMT2AHPGDNFE2L2POLB
SCHEMBL23696631 0.88 ACMSD (0.70) ACMSDKMT2AKDM4EALDH1A1NFE2L2
SCHEMBL20068065 0.87 ACMSD (0.70) ACMSDKMT2AALDH1A1NFE2L2POLB

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-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 WO disclosed