SCHEMBL28662792

SCHEMBL28662792

COC(=O)c1cn(CCCOS(=O)(=O)c2ccc(C)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.51
ADAMTS5 Q9UNA0 2/20 0.41
CYP24A1 Q07973 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
STAT3 P40763 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35

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
SCHEMBL14979975 0.77 CYP24A1 (0.44) PSMD10CYP24A1CA12CA1CA9
SCHEMBL26813651 0.74 CPB2 (0.45) ADAMTS5MEN1KMT2AALDH1A1
SCHEMBL26813648 0.74 CPB2 (0.42) ADAMTS5MEN1KMT2A
SCHEMBL28579686 0.73 MEN1 (0.41) ADAMTS5MEN1KMT2A
SCHEMBL29768658 0.72 PSMD10 (0.59) PSMD10MEN1KMT2ASTAT3ALDH1A1
SCHEMBL24842800 0.72 MEN1 (0.40) ADAMTS5MEN1KMT2A
SCHEMBL24842023 0.72 MEN1 (0.40) ADAMTS5MEN1KMT2A
SCHEMBL28583235 0.72 MEN1 (0.40) ADAMTS5MEN1KMT2A
SCHEMBL20139133 0.71 MEN1 (0.42) ADAMTS5MEN1KMT2AALDH1A1
SCHEMBL26215218 0.71 GAA (0.48) KMT2ACA9ALDH1A1

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
CN-113784969-A PLK1 Selective degradation inducing Compounds 厄普特拉公司 2021-12-10 CN disclosed