SCHEMBL22809585

SCHEMBL22809585

N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.44
KIF11 P52732 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.39
EPAS1 Q99814 1/20 0.38
MERTK Q12866 1/20 0.38
FFAR1 O14842 2/20 0.38
MRGPRX4 Q96LA9 1/20 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
SCHEMBL18570579 0.83 L3MBTL1 (0.46) SCN8ASCN10AL3MBTL1LMNAMAPT
SCHEMBL23246582 0.82 AR (0.49) PTGDR2SLC6A4ARKDM4E
SCHEMBL19563647 0.82 SCN8A (0.46) SCN8ASCN10AL3MBTL1LMNAMAPT
SCHEMBL22809589 0.82 SLC6A4 (0.56) SCN8ASCN10AL3MBTL1LMNAMAPT
SCHEMBL19563652 0.82 HTR2A (0.51) SCN8ASCN10APTGDR2L3MBTL1LMNA
SCHEMBL18570517 0.82 L3MBTL1 (0.62) SCN8ASCN10APTGDR2L3MBTL1LMNA
SCHEMBL276089 0.82 TBXA2R (0.45) SCN8ASCN10ALMNAMAPTRAB9A
SCHEMBL7138558 0.81 LMNA (0.57) SCN8ASCN10AL3MBTL1LMNAMAPT
SCHEMBL19524164 0.81 MAPT (0.65) SCN8ASCN10AL3MBTL1LMNAMAPT
SCHEMBL13997552 0.80 HTR2A (0.50) SCN8ASCN10APTGDR2KIF11L3MBTL1

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-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed