SCHEMBL11028404

SCHEMBL11028404

O=[N+]([O-])c1ccc(Oc2ccc(Cl)c3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
RORC P51449 1/20 0.46
HSPB1 P04792 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
PDE7A Q13946 2/20 0.40
MEN1 O00255 1/20 0.40
EPAS1 Q99814 1/20 0.40
ESRRA P11474 2/20 0.40
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1471670 0.86 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL10962765 0.84 MAPT (0.56) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL9171793 0.84 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19MAPTHSPB1
SCHEMBL11286995 0.84 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL1472418 0.81 TBXA2R (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL11028620 0.81 MAPT (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL11029230 0.80 MAPT (0.52) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL27675773 0.79 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL27773191 0.78 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL27886588 0.78 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19MAPTLMNA

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
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed