SCHEMBL19524223

SCHEMBL19524223

CC(=O)c1cc(F)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.56
SCN10A Q9Y5Y9 2/20 0.56
CTNNB1 P35222 1/20 0.51
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
TSPO P30536 4/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
TTR P02766 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9367885 0.90 PTGER4 (0.51) SCN8ASCN10APTGER4PTGER2SMN1; SMN2
SCHEMBL4112011 0.87 SCN8A (0.55) SCN8ASCN10ACTNNB1HTR2ASLC6A4
SCHEMBL29250430 0.84 SCN8A (0.54) SCN8ASCN10ACTNNB1HTR2ASLC6A4
SCHEMBL27549107 0.84 CTNNB1 (0.70) SCN8ASCN10ACTNNB1HTR2ASLC6A4
SCHEMBL29679671 0.83 CTNNB1 (0.67) CTNNB1TSPOMEN1KMT2AL3MBTL1
SCHEMBL3179214 0.83 CTNNB1 (0.67) CTNNB1TSPOMEN1KMT2AL3MBTL1
SCHEMBL24631538 0.83 KMT2A (0.50) SCN8ASCN10ACTNNB1SLC6A4KMT2A
SCHEMBL30748241 0.83 KMT2A (0.50) SCN8ASCN10ACTNNB1SLC6A4KMT2A
SCHEMBL19524204 0.81 SCN8A (0.53) SCN8ASCN10ACTNNB1MEN1KMT2A
Hydrochloric Acid SCHEMBL8136102 0.81 CTNNB1 (0.65) CTNNB1TSPOMEN1KMT2AL3MBTL1

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-3239134-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2017-11-01 EP disclosed