SCHEMBL18570588

SCHEMBL18570588

CCCOc1ccc(Oc2ccc(C(F)(F)F)cc2C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.52
SCN8A Q9UQD0 2/20 0.51
SCN10A Q9Y5Y9 2/20 0.51
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
ERN1 O75460 1/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
RAB9A P51151 1/20 0.43
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL19524164 0.90 MAPT (0.65) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL19524139 0.84 SCN8A (0.52) L3MBTL1SCN8ASCN10ACYP1A1CYP1B1
SCHEMBL18570917 0.83 SCN8A (0.51) MAPTLMNASCN8ASCN10AERN1
SCHEMBL22809589 0.82 SLC6A4 (0.56) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL18570517 0.82 L3MBTL1 (0.62) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL18570579 0.81 L3MBTL1 (0.46) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL19563647 0.80 SCN8A (0.46) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL19563652 0.80 HTR2A (0.51) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL7138558 0.79 LMNA (0.57) MAPTL3MBTL1LMNAATMSCN8A
SCHEMBL22809585 0.79 SCN8A (0.48) MAPTL3MBTL1LMNAATMSCN8A

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-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2017-11-01 EP disclosed
EP-2953931-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2017-03-01 EP disclosed