SCHEMBL21190846

SCHEMBL21190846

Cc1ccc(CS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.36
LIPG Q9Y5X9 6/20 0.36
BRD4 O60885 3/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA5A P35218 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
UCHL1 P09936 1/20 0.33
F11 P03951 1/20 0.33
ESR2 Q92731 1/20 0.31

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
SCHEMBL6240959 0.87 CA1 (0.44) LPLLIPGCA1CA2CA9
SCHEMBL20157282 0.87 LIPG (0.37) LPLLIPGBRD4CA1CA2
SCHEMBL24456291 0.82 KMT2A (0.39) LPLLIPGBRD4CA1CA2
SCHEMBL9937303 0.81 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL2522891 0.81 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL16658429 0.80 BRD4 (0.38) LPLLIPGBRD4CA1CA2
SCHEMBL15000455 0.78 LIPG (0.40) LPLLIPGCA1CA2CA9
SCHEMBL21190845 0.78 BRD4 (0.43) BRD4CA1CA2CA9
SCHEMBL20157690 0.78 SRD5A2 (0.37) BRD4CA1CA2CA9UCHL1
SCHEMBL2947811 0.77 G6PD (0.37) CA1CA2CA9CA5ACA12

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-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed