SCHEMBL28534898

SCHEMBL28534898

N#Cc1cccc(OCc2cc(B(O)O)cs2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
NR1H4 Q96RI1 1/20 0.39
FFAR1 O14842 2/20 0.38
SMPD1 P17405 1/20 0.38
GPR34 Q9UPC5 1/20 0.38
TBXAS1 P24557 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 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 0.87 ENPP2 (0.46) ENPP2SMPD1MAOBMAOA
SCHEMBL28520513 0.83 CA1 (0.41) ENPP2SMN1; SMN2
SCHEMBL28520033 0.81 MAOB (0.41) ENPP2MAOBSMN1; SMN2MAOA
SCHEMBL28521411 0.80 ENPP2 (0.51) ENPP2MAOB
SCHEMBL28519536 0.77 USP2 (0.42) ENPP2
SCHEMBL28516124 0.76 AR (0.43) MAOB
SCHEMBL28521446 0.75 NPC1 (0.39) FFAR1SMN1; SMN2MAOAGAA
SCHEMBL28529096 0.75 NPC1 (0.42) ENPP2MAOBSMN1; SMN2MAOA
SCHEMBL28512482 0.75 ENPP2 (0.42) ENPP2MAOB
SCHEMBL29954614 0.75 ENPP2 (0.59) ENPP2FFAR1SMPD1FFAR4MAOB

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