SCHEMBL28995397

SCHEMBL28995397

N#Cc1ccc(OC/C(=C\F)COC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.46
MAOB P27338 4/20 0.46
AOC2 O75106 3/20 0.46
MAOA P21397 3/20 0.46
DAO P14920 2/20 0.46
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL28995399 1.00 AOC3 (0.46) AOC3MAOBAOC2MAOADAO
SCHEMBL28995338 0.82 AOC2 (0.41) AOC3MAOBAOC2MAOADAO
SCHEMBL28995336 0.82 AOC2 (0.41) AOC3MAOBAOC2MAOADAO
SCHEMBL28995389 0.82 PTGDR2 (0.41) AOC3MAOBAOC2MAOADAO
SCHEMBL28995386 0.82 PTGDR2 (0.41) AOC3MAOBAOC2MAOADAO
SCHEMBL28995418 0.81 AOC3 (0.37) AOC3MAOBAOC2MAOADAO
SCHEMBL28995360 0.81 MRGPRX4 (0.45) AOC3MAOBAOC2MAOADAO
SCHEMBL28995421 0.81 AOC3 (0.37) AOC3MAOBAOC2MAOADAO
SCHEMBL24147408 0.81 MAOB (0.69) AOC3MAOBAOC2MAOADAO
SCHEMBL24147682 0.81 MAOB (0.69) AOC3MAOBAOC2MAOADAO

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-115916337-A Haloallylamine diamine oxidase inhibitors 法玛西斯有限公司 2023-04-04 CN disclosed