SCHEMBL18570880

SCHEMBL18570880

O=Cc1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 11/20 0.50
SCN8A Q9UQD0 8/20 0.50
SCN9A Q15858 9/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18570394 0.91 SCN10A (0.52) SCN10ASCN8ASCN9A
SCHEMBL22809751 0.86 SCN10A (0.51) SCN10ASCN8ASCN9A
SCHEMBL18570359 0.86 SCN8A (0.51) SCN10ASCN8APOLBMAPTALDH1A1
SCHEMBL14147855 0.80 SCN8A (0.50) SCN10ASCN8AMAPTL3MBTL1
SCHEMBL5988928 0.79 SCN8A (0.45) SCN10ASCN8APOLBMAPTALDH1A1
SCHEMBL14661987 0.78 SCN9A (0.47) SCN10ASCN9A
SCHEMBL3656855 0.78 SCN8A (0.62) SCN10ASCN8ASCN9AALDH1A1
SCHEMBL18570392 0.78 SCN8A (0.46) SCN10ASCN8APOLBMAPTALDH1A1
SCHEMBL18570362 0.78 HTR2A (0.52) SCN10ASCN8APOLBMAPTALDH1A1
SCHEMBL4613870 0.77 LMNA (0.57) SCN10ASCN8APOLBMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 EP disclosed