SCHEMBL13986161

SCHEMBL13986161

Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3cccc(/C=C/c4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc(C)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RELA Q04206 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
CYP1B1 Q16678 1/20 0.40
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL13242001 0.89 MAPT (0.45) NFE2L2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL20109429 0.87 TRPM8 (0.44) NFE2L2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL13679128 0.87 ESR1 (0.42) NFE2L2RELATTRAPPPTGS2
SCHEMBL17486890 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTHPGDRELA
SCHEMBL13609992 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTHPGDRELA
SCHEMBL9972128 0.87 RELA (0.50) NFE2L2MAPTRELATRPM8CYP1B1
SCHEMBL17486891 0.87 RELA (0.50) NFE2L2MAPTRELATRPM8CYP1B1
SCHEMBL15893566 0.86 TRPM8 (0.39) NFE2L2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL17486892 0.86 CYP1B1 (0.45) ALDH1A1CYP3A4MAPTHPGDRELA
SCHEMBL13163966 0.85 RELA (0.48) NFE2L2MAPTRELATRPM8CYP1B1

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-7468230-B2 Wet-developing electrophotographic photoconductor and wet-developing image KYOCERA MITA CORPORATION (JP) 2008-12-23 US disclosed
US-7468230-B2 Wet-developing electrophotographic photoconductor and wet-developing image KYOCERA MITA CORPORATION (JP) 2008-12-23 US disclosed
EP-1640807-B1 WET-DEVELOPING ELECTROGRAPHY PHOTORECEPTOR AND WET-DEVELOPING IMAGE FORMING DEVICE KYOCERA MITA CORP (JP) 2008-06-18 EP disclosed