SCHEMBL12258641

SCHEMBL12258641

[C-]#[N+]c1c(C=Cc2ccc(N(c3ccc(OC)cc3)c3cccc4ccccc34)cc2)ccc2c(C#N)c(C(C)(C)C)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
STAT3 P40763 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
RELA Q04206 2/20 0.30

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
SCHEMBL12258703 0.88 SIGMAR1 (0.30)
SCHEMBL10050153 0.88 TUBB4A (0.36) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL10050159 0.84 TUBB4A (0.36) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL10074377 0.80 RELA (0.38) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL12138150 0.80 NFE2L2 (0.39) RELANFE2L2
SCHEMBL12309956 0.80 RELA (0.37) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL14569536 0.78 RELA (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL10050154 0.78 RELA (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12309953 0.78 RELA (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL10050156 0.78 CA1 (0.30) NFE2L2

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