SCHEMBL22809751

SCHEMBL22809751

O=Cc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 6/20 0.51
SCN8A Q9UQD0 3/20 0.51
GRM5 P41594 1/20 0.43
SCN9A Q15858 13/20 0.40
EPAS1 Q99814 1/20 0.40
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18570880 0.86 SCN10A (0.50) SCN10ASCN8ASCN9A
SCHEMBL18570394 0.82 SCN10A (0.52) SCN10ASCN8ASCN9A
SCHEMBL875745 0.82 SCN9A (0.46) SCN10AGRM5SCN9A
SCHEMBL14661987 0.77 SCN9A (0.47) SCN10ASCN9A
SCHEMBL28711691 0.77 SCN9A (0.44) SCN10AGRM5SCN9A
SCHEMBL29416760 0.77 SCN9A (0.44) SCN10AGRM5SCN9A
SCHEMBL5991889 0.75 LMNA (0.46) SCN10ASCN8AEPAS1TDP1
SCHEMBL20535300 0.74 RHEB (0.51) EPAS1TDP1
SCHEMBL21858465 0.73 PPARG (0.52) TDP1
SCHEMBL875647 0.73 ALDH1A1 (0.39) SCN10ASCN8ASCN9A

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