SCHEMBL11286995

SCHEMBL11286995

O=[N+]([O-])c1ccc(Oc2cccc3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX5 P09917 2/20 0.49
PTGES O14684 2/20 0.47
HSPB1 P04792 3/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
PIN1 Q13526 1/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41

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
SCHEMBL9171793 0.85 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL11028404 0.84 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL1471670 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL27886588 0.82 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL27773191 0.82 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL27713193 0.81 HSPB1 (0.66) ALOX5PTGESHSPB1MEN1KMT2A
SCHEMBL11212598 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL11030748 0.80 ALOX5 (0.52) CYP1A2CYP2C19ALOX5PTGESHSPB1
SCHEMBL6237528 0.80 KMT2A (0.65) CYP1A2CYP2C9CYP2C19ALOX5PTGES
SCHEMBL27675773 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1

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
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed