SCHEMBL14079583

SCHEMBL14079583

COc1ccc(N(c2ccccc2)c2ccc(C=Cc3cccc4c(C#N)c5ccccc5c(C#N)c34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
RELA Q04206 4/20 0.42
NFE2L2 Q16236 2/20 0.42
APP P05067 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.39
MAOB P27338 1/20 0.38
SNCA P37840 6/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36

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
SCHEMBL12258608 0.94 TRPA1 (0.43) TRPA1RELANFE2L2APPTRPM8
SCHEMBL14079582 0.86 TRPA1 (0.43) TRPA1RELANFE2L2APPTRPM8
SCHEMBL17883194 0.85 TRPA1 (0.48) TRPA1RELANFE2L2APPTRPM8
SCHEMBL665399 0.85 TRPA1 (0.48) TRPA1RELANFE2L2APPTRPM8
SCHEMBL12309967 0.84 TRPA1 (0.47) TRPA1RELANFE2L2APPTRPM8
SCHEMBL10074383 0.84 TRPA1 (0.42) TRPA1RELANFE2L2APPTRPM8
SCHEMBL14569792 0.83 TRPA1 (0.48) TRPA1RELANFE2L2APPTRPM8
SCHEMBL14079456 0.82 TRPA1 (0.45) TRPA1RELANFE2L2APPMAOB
SCHEMBL10050173 0.81 APP (0.43) RELANFE2L2APPTRPM8CYP1A2
SCHEMBL13880035 0.80 TRPA1 (0.43) TRPA1RELANFE2L2APPTRPM8

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-1072669-B1 Organic electroluminescent device SONY CORP (JP) 2008-09-03 EP disclosed