SCHEMBL12258596

SCHEMBL12258596

[C-]#[N+]c1c(C#N)c2cc(C)ccc2c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 6/20 0.40
TRPA1 O75762 1/20 0.36
TRPM8 Q7Z2W7 4/20 0.35
NQO2 P16083 1/20 0.33
MAPK10 P53779 1/20 0.33
PADI4 Q9UM07 1/20 0.33
SNCA P37840 1/20 0.32
NFE2L2 Q16236 2/20 0.32
APP P05067 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL10050167 0.93 APP (0.33) RELATRPM8PADI4APP
SCHEMBL10050168 0.92 APP (0.33) RELATRPM8NFE2L2APP
SCHEMBL12309945 0.90 RELA (0.46) RELATRPA1TRPM8NQO2MAPK10
SCHEMBL12258599 0.89 RELA (0.36) RELANQO2APP
SCHEMBL12258597 0.88 APP (0.32) NFE2L2APP
SCHEMBL12258677 0.87 RELA (0.35) RELANQO2APP
SCHEMBL10050160 0.87 TRPA1 (0.39) RELATRPA1TRPM8NQO2SNCA
SCHEMBL10075083 0.86 RELA (0.46) RELATRPA1TRPM8NQO2MAPK10
SCHEMBL17883193 0.86 RELA (0.46) RELATRPA1TRPM8NQO2MAPK10
SCHEMBL12258674 0.86 NR1H4 (0.30)

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-8025986-B2 Light emitting region having a charge-transport, amine-containing steryl compound like 1-((2,5-dicyano)phenyl)ethylene-),4- ((p-methoxy-)phenyl)-amino(-(phenyl)benzene; heat resistance; accuracy; high purity and luminescence in long wavelength range (red); flat display panel; television SONY CORPORATION (JP) 2011-09-27 US disclosed