SCHEMBL17501722

SCHEMBL17501722

CC(C)(CBr)Oc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
NFE2L2 Q16236 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ACHE P22303 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL11620191 0.81 MAOB (0.37) MAOBNFE2L2SLC6A4ACHEPPARG
SCHEMBL3724795 0.80 MAOB (0.44) MAOBSLC6A4SLC6A2SLC6A3
SCHEMBL11613784 0.79 MAOB (0.40) MAOBNFE2L2SLC6A4ACHEMRGPRX4
SCHEMBL10294030 0.79 NFE2L2 (0.43) MAOBNFE2L2SLC6A4SLC6A2SLC6A3
SCHEMBL11515724 0.78 NFE2L2 (0.38) MAOBNFE2L2SLC6A4ACHEPPARG
SCHEMBL16144539 0.77 MAOB (0.42) MAOBNFE2L2SLC6A4SLC6A2SLC6A3
SCHEMBL7018083 0.77 CA4 (0.39) SLC6A2PPARGPPARA
SCHEMBL246293 0.75 MAOB (0.40) MAOBNFE2L2SLC6A4SLC6A2SLC6A3
SCHEMBL7940650 0.75 NFE2L2 (0.39) MAOBNFE2L2SLC6A4SLC6A2SLC6A3
SCHEMBL22477852 0.74 NR4A1 (0.40) MAOBPPARGPPARAMRGPRX4CNR1

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
WO-2016022569-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2016-02-11 WO disclosed