SCHEMBL253676

SCHEMBL253676

Cc1noc(-n2nc3ccc(-c4ccc(OC(F)(F)F)c(F)c4)cn3c2=O)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 10/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
GRM2 Q14416 5/20 0.35
GPR139 Q6DWJ6 1/20 0.34
TRPA1 O75762 2/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL253408 0.83 SCN5A (0.75) SCN5ASCN1ASCN2AGPR139
SCHEMBL252906 0.67 SCN5A (0.68) SCN5ASCN1ASCN2A
SCHEMBL252058 0.67 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL252872 0.67 SCN5A (0.64) SCN5ASCN1ASCN2AGPR139
SCHEMBL937200 0.66 SCN5A (0.76) SCN5ASCN1ASCN2A
SCHEMBL253370 0.65 SCN5A (0.65) SCN5ASCN1ASCN2AGPR139
SCHEMBL937775 0.65 SCN5A (0.66) SCN5ASCN1ASCN2A
SCHEMBL248577 0.64 SCN5A (0.81) SCN5ASCN1ASCN2AGPR139
SCHEMBL938543 0.63 SCN5A (0.59) SCN5ASCN1ASCN2AGRM2
SCHEMBL12889521 0.62 PDE2A (0.45) SCN5AGRM2KDM4ENPC1ALDH1A1

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 disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed