SCHEMBL28520033

SCHEMBL28520033

OB(O)c1csc(COc2cccc(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NR4A2 P43354 1/20 0.41
DAO P14920 1/20 0.41
MAOA P21397 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
DCPS Q96C86 1/20 0.37
HTR1A P08908 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ENPP2 Q13822 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
SCHEMBL28512482 0.85 ENPP2 (0.42) MAOBNR4A2DAOENPP2
SCHEMBL28520513 0.85 CA1 (0.41) DAOHDAC6SLC6A2LMNASMN1; SMN2
SCHEMBL28521411 0.84 ENPP2 (0.51) MAOBMRGPRX4LMNANPSR1ENPP2
SCHEMBL28534898 0.81 ENPP2 (0.48) MAOBMAOASMN1; SMN2ENPP2
SCHEMBL28908256 0.77 MRGPRX4 (0.41) MRGPRX4DAOHDAC1HDAC6LMNA
SCHEMBL28529096 0.77 NPC1 (0.42) MAOBMAOASMN1; SMN2ENPP2
SCHEMBL28530298 0.74 ENPP2 (0.46) MAOBMAOALMNAENPP2
SCHEMBL2562586 0.72 MAOB (0.45) MAOBMRGPRX4NR4A2DAOSLC6A2
SCHEMBL4304772 0.72 MAOB (0.63) MAOBMRGPRX4NR4A2MAOAENPP2
SCHEMBL28243025 0.72 MAOB (0.44) MAOBMRGPRX4NR4A2DAOMAOA

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