SCHEMBL23623477

SCHEMBL23623477

COc1ccccc1-c1cc(SN)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.68
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.47
ALPL P05186 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL23611724 0.81 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL29930877 0.81 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL9071981 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL13929106 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL1528407 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL23623364 0.77 HSD17B10 (0.55) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL23611757 0.77 HSD17B10 (0.66) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL17280016 0.76 HSD17B10 (0.65) HSD17B10ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL2667067 0.75 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4EGAADCUN1D1
SCHEMBL1528432 0.75 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4EGAASMN1; SMN2

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-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed