SCHEMBL11115079

SCHEMBL11115079

Cc1ccc(C/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
NFE2L2 Q16236 1/20 0.51
BCHE P06276 1/20 0.51
APP P05067 1/20 0.50
FBP1 P09467 2/20 0.49
PTGS2 P35354 3/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.45
PTGS1 P23219 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL11115082 1.00 ACHE (0.56) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL322726 0.84 ACHE (0.60) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL27793265 0.84 MAPT (0.53) MAOBNFE2L2BCHEAPPFBP1
SCHEMBL7655222 0.84 ACHE (0.60) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL3846090 0.84 MAPT (0.53) MAOBNFE2L2BCHEAPPFBP1
SCHEMBL2681912 0.83 ACHE (0.75) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL17589690 0.83 ACHE (0.75) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL5514260 0.83 ACHE (0.75) ACHEHSD17B10MAOAMAOBNFE2L2
SCHEMBL28508047 0.83 NFE2L2 (0.46) NFE2L2FBP1PTGS2MAPTNPC1
SCHEMBL6546952 0.83 NFE2L2 (0.46) NFE2L2FBP1PTGS2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4437880-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 US disclosed
EP-0040859-B1 N'-PHENYL-N-METHYLUREA DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-03 EP disclosed
EP-0040859-A1 N'-phenyl-N-methylurea derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed