SCHEMBL1128564

SCHEMBL1128564

CS(=O)(=O)COc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
DAO P14920 1/20 0.44
MAOA P21397 2/20 0.42
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4599441 0.79 MAOB (0.51) MAOBMRGPRX4MAOAALDH1A1KMT2A
SCHEMBL1604166 0.77 KCNA3 (0.46) MEN1ALDH1A1HPGDKMT2A
SCHEMBL3742274 0.76 CA1 (0.45) ALDH1A1HPGD
SCHEMBL2091659 0.75 DAO (0.50) MAOBMRGPRX4DAOMAOANR4A2
SCHEMBL255033 0.75 TP53 (0.59) MAOBMRGPRX4DAO
SCHEMBL29642759 0.75 TP53 (0.59) MAOBMRGPRX4DAO
SCHEMBL7161162 0.75 TP53 (0.46) MAOBMRGPRX4NR4A2ALDH1A1
Fluoride SCHEMBL27290995 0.73 TP53 (0.57) MAOBMRGPRX4DAO
SCHEMBL4138787 0.73 CA2 (0.42) MAOBMRGPRX4DAOKMT2A
SCHEMBL778406 0.72 TP53 (0.39) MAOBMRGPRX4DAO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed