SCHEMBL8087357

SCHEMBL8087357

O=c1cc(C(F)(F)F)n(-c2ccc(OCc3ccc(Br)c([N+](=O)[O-])c3)cc2F)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.37
MAOB P27338 7/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MAOA P21397 3/20 0.32
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
AR P10275 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
TDO2 P48775 1/20 0.30

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
SCHEMBL27531125 0.87 BCAT1 (0.42) PTGESMAOB
SCHEMBL7841395 0.80 MAOB (0.44) PTGESMAOBMAOAARMAPK1
SCHEMBL7851650 0.77 CHRM5 (0.38) PTGESMAOBMAPK1TDO2
SCHEMBL8137593 0.77 CHRM5 (0.41) MAOBMAOA
SCHEMBL7235287 0.76 BCAT1 (0.44) PTGESMAOB
SCHEMBL7239116 0.74 PTGES (0.36) PTGESMAOBMAOAMAPT
SCHEMBL8086309 0.69 ESR1 (0.41) MAPTAR
SCHEMBL2968607 0.69 CA12 (0.52) PTGESMAOBMAOAMAPT
SCHEMBL2968274 0.67 MAOB (0.60) MAOBMAOAMAPT
SCHEMBL2971668 0.67 PTGES (0.54) PTGESMAOBMAOAMAPTAR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051404-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AG (DE) 2000-11-15 EP disclosed
WO-1999038851-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 WO disclosed