SCHEMBL20068081

SCHEMBL20068081

C=C(N)COc1c(/C=C/c2[nH]c(=S)[nH]c(=O)c2C#N)cccc1OC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.67
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
NFE2L2 Q16236 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL23696631 0.92 ACMSD (0.70) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL29529176 0.89 ACMSD (0.84) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20068211 0.89 ACMSD (0.69) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20068050 0.89 ACMSD (0.84) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20137807 0.89 ACMSD (0.84) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20068060 0.87 ACMSD (0.64) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20068152 0.87 ACMSD (0.69) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20068069 0.86 ACMSD (0.68) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL20138076 0.86 ACMSD (0.68) ACMSDKMT2AGAAGFERNFE2L2
SCHEMBL29528851 0.86 ACMSD (0.68) ACMSDKMT2AGAAGFERNFE2L2

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