SCHEMBL16159776

SCHEMBL16159776

c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cccc(-c5cocn5)c4)ccc2-3)cc(-c2cocn2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.56
PDK2 Q15119 18/20 0.40

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
SCHEMBL16159502 0.92 SCN9A (0.45) SCN9APDK2
SCHEMBL16159760 0.89 SCN9A (0.48) SCN9APDK2
SCHEMBL16159805 0.88 SCN9A (0.51) SCN9APDK2
SCHEMBL16159804 0.83 SCN9A (0.51) SCN9APDK2
SCHEMBL2383373 0.82 PDK2 (0.50) PDK2
SCHEMBL16159563 0.80 SCN9A (0.37) SCN9APDK2
SCHEMBL16159675 0.79 SCN9A (0.41) SCN9APDK2
SCHEMBL14564377 0.78 SCN9A (0.62) SCN9A
SCHEMBL16159343 0.77 SCN9A (0.66) SCN9A
SCHEMBL30503629 0.77 PDK2 (0.46) PDK2

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
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed