SCHEMBL7239116

SCHEMBL7239116

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)c([N+](=O)[O-])c3)cc2F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.36
MAOB P27338 4/20 0.36
FFAR1 O14842 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
PLA2G7 Q13093 4/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAOA P21397 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL7236458 0.86 MAOB (0.38) MAOBFFAR1PLA2G7HRH3S1PR1
SCHEMBL9114664 0.84 MAOB (0.47) MAOBMAOA
SCHEMBL7610613 0.84 MAOB (0.41) PTGESMAOBMAOA
SCHEMBL7235287 0.82 BCAT1 (0.44) PTGESMAOB
SCHEMBL7677446 0.81 HDAC1 (0.40) MAOBPLA2G7MAPTMAOA
SCHEMBL7618281 0.81 CHRM5 (0.37) PTGES
SCHEMBL7242694 0.81 FFAR1 (0.35) MAOBFFAR1PLA2G7HRH3S1PR1
SCHEMBL9116751 0.79 AR (0.44) MAOBMAPTS1PR5MAOA
SCHEMBL7684644 0.78 ALDH1A1 (0.34) AKR1B1MAPTSMN1; SMN2
SCHEMBL7228060 0.76 MEN1 (0.42) PTGESMAPTSMN1; SMN2

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
US-6548449-B1 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed