SCHEMBL9237657

SCHEMBL9237657

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.45
MAOA P21397 12/20 0.45
ACHE P22303 2/20 0.41
AR P10275 1/20 0.41
SRD5A1 P18405 2/20 0.40
BCAT2 O15382 1/20 0.36
BCAT1 P54687 1/20 0.36
GRM5 P41594 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
SCHEMBL22495466 0.83 HTT (0.40) BCAT2BCAT1
SCHEMBL9116228 0.81 BCAT1 (0.51) MAOBMAOAARBCAT2BCAT1
SCHEMBL9114664 0.74 MAOB (0.47) MAOBMAOAACHEARSRD5A1
SCHEMBL8525409 0.74 MAOB (0.49) MAOBMAOA
SCHEMBL22467858 0.74 BCAT1 (0.42) ARBCAT2BCAT1
SCHEMBL8525411 0.72 MAOB (0.47) MAOBMAOA
SCHEMBL22495448 0.71 ALDH1A1 (0.40) BCAT2BCAT1
SCHEMBL8137593 0.71 CHRM5 (0.41) MAOBMAOA
SCHEMBL22912544 0.70 HTT (0.40) BCAT2BCAT1
SCHEMBL7677845 0.70 BCAT1 (0.46) BCAT2BCAT1

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-1995017096-A1 HERBICIDAL HALOALKYLURACILS FMC CORPORATION (US) 1995-06-29 WO disclosed