SCHEMBL19734464

SCHEMBL19734464

O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C1(CO)c1cc2c(cc1O)OCO2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.65
SCN7A Q01118 1/20 0.65
SCN5A Q14524 1/20 0.65
SCN2A Q99250 1/20 0.65
SCN8A Q9UQD0 1/20 0.65
SCN10A Q9Y5Y9 1/20 0.65
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15312938 1.00 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763103 0.90 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19763101 0.90 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281928 0.90 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734463 0.88 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734404 0.88 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL15313055 0.87 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3600318 0.87 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281791 0.87 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL19734523 0.87 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A

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-2017218920-A1 ASYMMETRIC SYNTHESIS OF FUNAPIDE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-12-21 WO disclosed