SCHEMBL28516124

SCHEMBL28516124

COc1cc(OCc2cc(B(O)O)cs2)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.43
MAOB P27338 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL28530298 0.80 ENPP2 (0.46) MAOB
SCHEMBL28521446 0.79 NPC1 (0.39)
SCHEMBL28519536 0.78 USP2 (0.42) AR
SCHEMBL28521411 0.76 ENPP2 (0.51) MAOB
SCHEMBL28534898 0.76 ENPP2 (0.48) MAOB
SCHEMBL28521420 0.75 ALDH1A1 (0.45)
SCHEMBL28524257 0.75 ENPP2 (0.46)
SCHEMBL28529096 0.74 NPC1 (0.42) MAOB
SCHEMBL249673 0.72 AR (0.49) ARPGR
SCHEMBL29951886 0.72 AR (0.49) ARPGR

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-108602834-B Bruton's tyrosine kinase inhibitor 北京盛诺基医药科技股份有限公司 2021-01-08 CN disclosed