SCHEMBL14237441

SCHEMBL14237441

CCOc1ccc(Cl)c(-c2ccc(NC(=O)c3ccnn3C)nc2N)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 12/20 0.81
SCN9A Q15858 2/20 0.81
SCN1A P35498 1/20 0.81
SCN5A Q14524 1/20 0.81
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MAP4K1 Q92918 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL14237647 0.91 SCN10A (0.81) SCN10ASCN9ASCN1ASCN5ATAS1R3
Pf-04531083 SCHEMBL261689 0.90 SCN10A (1.00) SCN10ASCN9ASCN1ASCN5AMAP4K1
Pf-04531083 SCHEMBL29387055 0.90 SCN10A (1.00) SCN10ASCN9ASCN1ASCN5AMAP4K1
SCHEMBL14237498 0.86 SCN10A (0.80) SCN10ASCN9ASCN1ASCN5ASMN1; SMN2
SCHEMBL261800 0.85 SCN10A (1.00) SCN10ASCN9ASCN1ASCN5AMAP4K1
SCHEMBL262687 0.85 SCN10A (0.72) SCN10ASCN9ASCN1ASCN5ATAS1R3
SCHEMBL14237512 0.84 SCN10A (0.83) SCN10ASCN9ASCN1ASCN5AMAP4K1
SCHEMBL263433 0.84 SCN10A (0.86) SCN10ASCN9ASCN1ASCN5AMAP4K1
SCHEMBL14237372 0.83 SCN10A (0.75) SCN10ASCN9ASCN1ASCN5ATAS1R3
SCHEMBL263773 0.82 SCN10A (0.79) SCN10ASCN9ASCN1ASCN5ASMN1; SMN2

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