SCHEMBL18570710

SCHEMBL18570710

O=Cc1cc(OC(F)(F)F)ccc1Oc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
EPAS1 Q99814 1/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GPR3 P46089 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K1 Q02750 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSPB1 P04792 2/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 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
SCHEMBL18570698 0.87 SCN8A (0.47) SCN8ASCN10AEPAS1KMT2AALDH1A1
SCHEMBL18570685 0.85 SCN8A (0.49) SCN8ASCN10AEPAS1GPR3SLC6A4
SCHEMBL18570617 0.85 SCN8A (0.49) SCN8ASCN10AEPAS1LMNAALDH1A1
SCHEMBL6500895 0.84 GPR3 (0.42) EPAS1LMNAGAAALDH1A1CYP1A2
SCHEMBL274702 0.84 LMNA (0.52) EPAS1LMNAGAAKMT2AALDH1A1
SCHEMBL18570714 0.84 SCN10A (0.50) SCN8ASCN10AEPAS1LMNAALDH1A1
SCHEMBL2539401 0.82 CA12 (0.41) EPAS1LMNAGAAKMT2AALDH1A1
SCHEMBL18570579 0.82 L3MBTL1 (0.46) SCN8ASCN10AEPAS1LMNAGAA
SCHEMBL19563647 0.81 SCN8A (0.46) SCN8ASCN10ALMNAGAAKMT2A
SCHEMBL12225949 0.81 PTGDR2 (0.44) EPAS1LMNAGAAKMT2AALDH1A1

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