SCHEMBL28079445

SCHEMBL28079445

CC(=O)c1cccc(OC(F)(F)Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAOA P21397 4/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL697586 0.88 MAOB (0.55) MAOBKMT2AMEN1MAOANPC1
SCHEMBL29742938 0.88 MAOB (0.55) MAOBKMT2AMEN1MAOANPC1
SCHEMBL7927459 0.85 MAOB (0.52) MAOBKMT2AMEN1MAOANPC1
SCHEMBL2095019 0.85 MAOB (0.52) MAOBKMT2AMEN1MAOANPC1
SCHEMBL2557596 0.83 MAOB (0.51) MAOBKMT2AMEN1MAOANPC1
SCHEMBL1619240 0.83 MAPT (0.52) MAOBKMT2AMEN1MAOANPC1
SCHEMBL2037979 0.82 KMT2A (0.54) MAOBKMT2AMEN1MAOANPC1
SCHEMBL30837232 0.79 ABL1 (0.55) MAOBNPC1RAB9AMAPT
SCHEMBL2277217 0.79 KMT2A (0.54) MAOBKMT2AMEN1MAOANPC1
SCHEMBL5331403 0.78 MAOB (0.53) MAOBKMT2AMEN1MAOANPC1

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-105801390-A Method for synthesizing 2,4-dibromo-3-difluoromethoxy acetophenone 浙江中欣氟材股份有限公司 2016-07-27 CN claimed