SCHEMBL7841395

SCHEMBL7841395

O=c1cc(C(F)(F)F)n(-c2ccc(OCc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.44
AR P10275 1/20 0.40
MAOA P21397 9/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SRD5A1 P18405 1/20 0.36
MAPK1 P28482 1/20 0.35
TDO2 P48775 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
SCHEMBL7851650 0.89 CHRM5 (0.38) MAOBPTGESALDH1A1MAPK1TDO2
SCHEMBL7612058 0.86 BCAT2 (0.42) MAOBARMAOATLR4TLR2
SCHEMBL7610613 0.83 MAOB (0.41) MAOBARMAOATLR4TLR2
SCHEMBL8087357 0.80 PTGES (0.37) MAOBARMAOAPTGESMAPK1
SCHEMBL7615844 0.75 BCAT1 (0.40) ALDH1A1TDO2
SCHEMBL7849461 0.74 MAOB (0.48) MAOBARMAOATLR4TLR2
SCHEMBL8137593 0.74 CHRM5 (0.41) MAOBMAOAALDH1A1
SCHEMBL7618281 0.73 CHRM5 (0.37) PTGESALDH1A1MAPK1
SCHEMBL2964633 0.71 MAOB (0.52) MAOBMAOATLR4TLR2LMNA
SCHEMBL7613555 0.71 CHRM5 (0.37) PTGESALDH1A1MAPK1TDO2

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-1066267-A1 SUBSTITUTED PHENYL URACILS Bayer Aktiengesellschaft (DE) 2001-01-10 EP disclosed
WO-1999028302-A1 SUBSTITUTED PHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1999-06-10 WO disclosed