SCHEMBL19257824

SCHEMBL19257824

Cc1ccccc1-c1nccc2cc(CC(C)(C)C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.43
ROCK1 Q13464 5/20 0.33
GRM2 Q14416 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
SCHEMBL19258243 0.88 SCN9A (0.46) SCN9AROCK1
SCHEMBL20809370 0.84 ROCK1 (0.38) SCN9AROCK1
SCHEMBL19257826 0.82 SCN9A (0.43) SCN9AROCK1
SCHEMBL20809371 0.81 ROCK1 (0.35) SCN9AROCK1
SCHEMBL19258027 0.81 CLK4 (0.35) SCN9AGRM2
SCHEMBL20809368 0.80 MAPK14 (0.38) SCN9AROCK1
SCHEMBL26061121 0.78 SCN9A (0.31) SCN9A
SCHEMBL24702697 0.77 GRM4 (0.38) ROCK1
SCHEMBL24702642 0.77 CYP11B1 (0.35) ROCK1
SCHEMBL26060352 0.75

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
EP-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 EP disclosed