SCHEMBL18570620

SCHEMBL18570620

O=Cc1cc(C(F)(F)F)ccc1Oc1ccc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 3/20 0.46
▸ SCN10A Q9Y5Y9 3/20 0.46
▸ EPAS1 Q99814 2/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MRGPRX4 Q96LA9 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL22809753 0.83 SCN8A (0.47) SCN8ASCN10AEPAS1L3MBTL1MRGPRX4
SCHEMBL19563735 0.82 SCN8A (0.46) SCN8ASCN10AEPAS1ALDH1A1
SCHEMBL22809756 0.79 SCN8A (0.46) SCN8ASCN10AEPAS1ALOX5APFEN1
SCHEMBL18570715 0.78 SCN8A (0.49) SCN8ASCN10ACYP2C9L3MBTL1ALDH1A1
SCHEMBL18570579 0.78 L3MBTL1 (0.46) SCN8ASCN10AEPAS1CYP2C9L3MBTL1
SCHEMBL19563643 0.77 SCN8A (0.47) SCN8ASCN10AEPAS1MRGPRX4MEN1
SCHEMBL19563616 0.77 SCN10A (0.47) SCN8ASCN10A
SCHEMBL269221 0.77 BACE1 (0.47) ALOX5APFEN1BACE1IDO1CYP2C9
SCHEMBL19563652 0.77 HTR2A (0.51) SCN8ASCN10AEPAS1CYP2C9CYP2D6
SCHEMBL19524181 0.77 SCN10A (0.46) SCN8ASCN10AL3MBTL1MRGPRX4LMNA

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
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