SCHEMBL12258581

SCHEMBL12258581

[C-]#[N+]c1cc(C#N)cc([N+]#[C-])c1C=Cc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
AHR P35869 4/20 0.43
NQO2 P16083 2/20 0.42
CYP1A1 P04798 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP1B1 Q16678 2/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42

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
SCHEMBL12258572 0.96 TRPA1 (0.43) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL12258623 0.89 KCNH2 (0.40) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL10050150 0.86 TUBB4A (0.37) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL10050148 0.84 NFE2L2 (0.39) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL10050147 0.80 SNCA (0.41) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL12258621 0.77 RELA (0.35) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL12258695 0.76 KCNH2 (0.30)
SCHEMBL10074801 0.74 NFE2L2 (0.43) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL13599895 0.74 NFE2L2 (0.49) ESR1AHRNQO2CYP1A1PTGS2
SCHEMBL14436653 0.74 NFE2L2 (0.49) ESR1AHRNQO2CYP1A1PTGS2

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