SCHEMBL251595

SCHEMBL251595

Cc1noc(Cn2nc3ccc(-c4ccc(C(F)(F)F)cc4)cn3c2=O)n1.O=C1c2ccccc2C(=O)N1Cc1nc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)no1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.72
SCN1A P35498 2/20 0.72
SCN2A Q99250 2/20 0.72
HPGD P15428 1/20 0.40
GPR139 Q6DWJ6 2/20 0.35
MAPT P10636 2/20 0.35
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL252714 0.91 SCN5A (0.72) SCN5ASCN1ASCN2AHPGDGPR139
SCHEMBL252058 0.85 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL253944 0.82 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139GRIN1
SCHEMBL252480 0.80 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL252450 0.79 SCN5A (0.88) SCN5ASCN1ASCN2AGPR139
SCHEMBL252947 0.79 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL253931 0.78 SCN5A (0.83) SCN5ASCN1ASCN2AGPR139GRIN1
SCHEMBL253720 0.78 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL252119 0.78 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL252974 0.78 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588197-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2013-05-08 EP claimed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO claimed