SCHEMBL28512482

SCHEMBL28512482

OB(O)c1csc(COc2ccc(F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.42
DAO P14920 2/20 0.40
MAOB P27338 6/20 0.38
APP P05067 1/20 0.38
NR4A2 P43354 1/20 0.38
PARP10 Q53GL7 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL28520033 0.85 MAOB (0.41) ENPP2DAOMAOBNR4A2
SCHEMBL28529096 0.85 NPC1 (0.42) ENPP2MAOBPARP10MAPTL3MBTL1
SCHEMBL28520513 0.84 CA1 (0.41) ENPP2DAOMAPTL3MBTL1
SCHEMBL28530298 0.82 ENPP2 (0.46) ENPP2MAOBMAPT
SCHEMBL28908256 0.79 MRGPRX4 (0.41) ENPP2DAOMAPTL3MBTL1
SCHEMBL28521411 0.75 ENPP2 (0.51) ENPP2MAOBAPP
SCHEMBL28534898 0.75 ENPP2 (0.48) ENPP2MAOB
SCHEMBL28519499 0.74 RXRA (0.40) ENPP2MAPTL3MBTL1
SCHEMBL28521420 0.74 ALDH1A1 (0.45) ENPP2APPMAPTL3MBTL1
SCHEMBL2345827 0.72 MAOB (0.61) ENPP2MAOBAPPNR4A2PARP10

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