SCHEMBL1160640

SCHEMBL1160640

CC/C(=C\C(=O)O)c1nc(C(F)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 14/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SERPINE1 P05121 3/20 0.36
GRK6 P43250 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL938365 0.87 SCN5A (0.46) SCN5ASCN1ASCN2ASERPINE1
SCHEMBL15787103 0.79 SCN5A (0.48) SCN5ASCN1ASCN2ASERPINE1
SCHEMBL15787102 0.79 SCN5A (0.48) SCN5ASCN1ASCN2ASERPINE1
SCHEMBL938366 0.77 SCN5A (0.46) SCN5ASCN1ASCN2ASERPINE1
SCHEMBL939192 0.74 SCN5A (0.48) SCN5ASCN1ASCN2ASERPINE1GRK6
SCHEMBL937114 0.74 SCN5A (0.46) SCN5ASCN1ASCN2A
SCHEMBL937112 0.74 SCN5A (0.46) SCN5ASCN1ASCN2A
SCHEMBL937849 0.74 SCN5A (0.58) SCN5ASCN1ASCN2A
SCHEMBL935933 0.73 SCN5A (0.54) SCN5ASCN1ASCN2A
SCHEMBL12945164 0.72 SCN5A (0.46) SCN5ASCN1ASCN2A

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
WO-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO claimed