SCHEMBL14237396

SCHEMBL14237396

Cn1nccc1C(=O)Nc1ccc(-c2cccc(F)c2Cl)c(N)n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.74
SCN9A Q15858 3/20 0.61
SCN5A Q14524 2/20 0.61
SCN1A P35498 1/20 0.61
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
MAP4K1 Q92918 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL14237460 0.90 SCN10A (0.84) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL14237482 0.87 SCN10A (0.59) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL263595 0.85 SCN10A (1.00) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL14237364 0.82 SCN10A (1.00) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL263433 0.82 SCN10A (0.86) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL14237511 0.80 SCN10A (0.74) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL261982 0.80 SCN10A (1.00) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL263764 0.80 SCN10A (0.86) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL14237527 0.80 SCN10A (0.75) SCN10ASCN9ASCN5ASCN1ANPC1
SCHEMBL14237398 0.80 SCN10A (0.83) SCN10ASCN9ASCN5ASCN1ANPC1

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