SCHEMBL9116751

SCHEMBL9116751

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccccc3Cl)cc2F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
MAPT P10636 1/20 0.42
MCHR1 Q99705 3/20 0.41
SRD5A1 P18405 1/20 0.41
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
NR4A2 P43354 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR5 Q9H228 1/20 0.37
CHRM5 P08912 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
ALOX5AP P20292 1/20 0.36
SLC26A4 O43511 1/20 0.36
KCNH2 Q12809 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
SCHEMBL10577797 0.86 MAPT (0.37) ARMAPTMCHR1NPC1RAB9A
SCHEMBL9114173 0.86 MCHR1 (0.48) ARMAPTMCHR1SRD5A1MAOB
SCHEMBL9114664 0.84 MAOB (0.47) ARMCHR1SRD5A1MAOBMAOA
SCHEMBL7236458 0.82 MAOB (0.38) MCHR1SRD5A1MAOBMAOAS1PR5
SCHEMBL7677446 0.81 HDAC1 (0.40) MAPTMCHR1MAOBMAOANPC1
SCHEMBL10574477 0.80 NPC1 (0.39) ARMAPTNPC1RAB9AMEN1
SCHEMBL7239116 0.79 PTGES (0.36) MAPTMAOBMAOAS1PR5
SCHEMBL10577253 0.79 BCAT1 (0.39)
SCHEMBL9115133 0.79 SMN1; SMN2 (0.38) MAPTNPC1RAB9A
SCHEMBL7242694 0.77 FFAR1 (0.35) MCHR1MAOBS1PR5KCNH2

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 claimed