SCHEMBL5862343

SCHEMBL5862343

COc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2cc(C#N)ccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.40
TRPA1 O75762 1/20 0.40
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
CYP1A1 P04798 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP1B1 Q16678 4/20 0.37
CYP19A1 P11511 1/20 0.37
AR P10275 1/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
SRC P12931 2/20 0.36
TUBB1 Q9H4B7 2/20 0.34
NQO2 P16083 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5862346 1.00 NFE2L2 (0.40) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL7075585 0.90 NFE2L2 (0.44) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL7075586 0.90 NFE2L2 (0.44) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL11888684 0.89 AR (0.38) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL10074799 0.85 TRPA1 (0.46) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL14036456 0.82 APP (0.40) NFE2L2ALDH1A1HPGDSMN1; SMN2SNCA
SCHEMBL10074803 0.81 SNCA (0.38) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL10074801 0.80 NFE2L2 (0.43) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL17852156 0.80 CYP1A1 (0.53) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL12310016 0.79 NR1H3 (0.38) SLC16A3SLC16A1ALDH1A1SNCAAPP

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
US-6991506-B2 Display apparatus and method for fabricating the same SONY CORPORATION (JP) 2006-01-31 US disclosed