SCHEMBL19257828

SCHEMBL19257828

Cc1cc(C)c(C)c(-c2nccc3cc(CCC(F)(F)F)ccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.34
SCN9A Q15858 9/20 0.32
MAOA P21397 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL19257826 0.83 SCN9A (0.43) ROCK1SCN9A
SCHEMBL24790357 0.83 ROCK1 (0.37) ROCK1SCN9AMAOAWNT3A
SCHEMBL24790381 0.83 ROCK1 (0.33) ROCK1
SCHEMBL24790396 0.82 ROCK1 (0.32) ROCK1SCN9A
SCHEMBL24790395 0.81 ROCK1 (0.32) ROCK1
SCHEMBL19258029 0.81 IRAK4 (0.33)
SCHEMBL24791382 0.80 ROCK1 (0.31) ROCK1
SCHEMBL26783764 0.80 ROCK1 (0.36) ROCK1SCN9AMAOAWNT3A
SCHEMBL24146536 0.78 MAPT (0.31) ROCK1SCN9A
SCHEMBL26060382 0.76

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