SCHEMBL18570945

SCHEMBL18570945

O=Cc1ccc(C(F)(F)F)cc1Oc1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.47
SCN10A Q9Y5Y9 4/20 0.47
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22809605 0.89 SCN8A (0.47) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL22809693 0.83 SCN8A (0.48) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL5991545 0.83 SCN8A (0.47) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL18570392 0.81 SCN8A (0.46) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL4613870 0.81 LMNA (0.57) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL20638988 0.79 ALDH1A1 (0.48) SCN8ASCN10AMAPTKDM4EL3MBTL1
SCHEMBL5988752 0.77 SCN8A (0.47) SCN8ASCN10AALDH1A1HTT
SCHEMBL18570740 0.77 SCN8A (0.49) SCN8ASCN10AALDH1A1
SCHEMBL5988928 0.77 SCN8A (0.45) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL96815 0.76 ALDH1A1 (0.55) LMNAGAAKMT2AMAPTNPSR1

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