SCHEMBL14237705

SCHEMBL14237705

COCCCOc1ccccc1-c1ccc(NC(=O)c2ccnn2C)nc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.70
SCN5A Q14524 2/20 0.58
SCN9A Q15858 2/20 0.58
SCN1A P35498 1/20 0.58
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MAP4K1 Q92918 1/20 0.42
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 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
SCHEMBL14237638 0.95 SCN10A (0.72) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237679 0.89 SCN10A (0.74) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237515 0.87 SCN10A (0.70) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237569 0.86 SCN10A (0.67) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL264110 0.86 SCN10A (0.78) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237448 0.85 SCN10A (0.68) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237406 0.84 SCN10A (0.68) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL14237440 0.83 SCN10A (0.70) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL263639 0.83 SCN10A (0.76) SCN10ASCN5ASCN9ASCN1ASCN2A
SCHEMBL262570 0.83 SCN10A (1.00) SCN10ASCN5ASCN9ASCN1ASCN2A

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