SCHEMBL7075585

SCHEMBL7075585

COc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2cc(C#N)c(/C=C/c3ccc(N(c4ccccc4)c4ccccc4OC)cc3)cc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.44
TRPA1 O75762 1/20 0.44
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
CYP1A1 P04798 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1B1 Q16678 4/20 0.41
CYP19A1 P11511 1/20 0.41
SRC P12931 2/20 0.39
TUBB1 Q9H4B7 3/20 0.38
NQO2 P16083 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 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
SCHEMBL7075586 1.00 NFE2L2 (0.44) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL5862346 0.90 NFE2L2 (0.40) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL5862343 0.90 NFE2L2 (0.40) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL1471068 0.88 SLC16A3 (0.40) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL18327869 0.84 TRPA1 (0.51) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL830304 0.84 TRPA1 (0.51) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1
SCHEMBL7716038 0.83 APP (0.46) TRPA1SLC16A3SLC16A1CYP1A2APP
SCHEMBL9915842 0.83 APP (0.46) TRPA1SLC16A3SLC16A1CYP1A2APP
SCHEMBL17852156 0.82 CYP1A1 (0.53) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL14436652 0.80 RELA (0.50) NFE2L2TRPA1SLC16A3SLC16A1CYP1A1

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-20030201708-A1 Display apparatus and method for fabricating the same JOLED INC. (JP) 2003-10-30 US disclosed