SCHEMBL23623364

SCHEMBL23623364

COc1ccccc1-c1cc(SNC=O)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ALOX15 P16050 3/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
METAP2 P50579 1/20 0.40
CHRNA3 P32297 1/20 0.40
MPO P05164 1/20 0.40
ALPL P05186 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL23623477 0.77 HSD17B10 (0.68) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL13929106 0.72 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL9071981 0.72 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL1528407 0.72 HSD17B10 (0.69) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL28956870 0.72 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL29930877 0.71 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL23611724 0.71 HSD17B10 (1.00) HSD17B10ALDH1A1KDM4ECCNB2CDK1
SCHEMBL17280016 0.70 HSD17B10 (0.65) HSD17B10ALDH1A1KDM4EALOX15MEN1
SCHEMBL71938 0.70 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EALOX15CHRNA3
SCHEMBL29930951 0.70 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EALOX15CHRNA3

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