SCHEMBL14237458

SCHEMBL14237458

COc1cc(Cl)c(Cl)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.81
SCN9A Q15858 4/20 0.57
SCN5A Q14524 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN3A Q9NY46 3/20 0.57
SCN1A P35498 2/20 0.53
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
PDE10A Q9Y233 1/20 0.37
SORT1 Q99523 1/20 0.37
CHRNA7 P36544 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN11 Q06124 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
SCHEMBL263118 0.90 SCN10A (1.00) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL263548 0.88 SCN10A (1.00) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14237710 0.87 SCN10A (0.83) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL262885 0.85 SCN10A (0.79) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14237505 0.84 SCN10A (0.58) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14237757 0.82 SCN10A (0.82) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL264597 0.81 SCN10A (0.81) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14237554 0.81 SCN10A (0.80) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL263424 0.81 SCN10A (0.73) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL264547 0.81 SCN10A (0.80) SCN10ASCN9ASCN5ASCN2ASCN3A

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-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed