SCHEMBL3433550

SCHEMBL3433550

O=c1n(Cc2nc(C3=C(Cl)CCC=C3Cl)no2)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 12/20 0.70
SCN1A P35498 2/20 0.64
SCN2A Q99250 2/20 0.64
GPR139 Q6DWJ6 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34
CASP3 P42574 1/20 0.33
S1PR1 P21453 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
GRM2 Q14416 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
SCHEMBL252707 0.83 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139CASP3
SCHEMBL317497 0.81 SCN5A (0.84) SCN5ASCN1ASCN2ACASP3S1PR1
SCHEMBL252058 0.79 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL252480 0.77 SCN5A (1.00) SCN5ASCN1ASCN2AGPR139
SCHEMBL252450 0.77 SCN5A (0.88) SCN5ASCN1ASCN2AGPR139
SCHEMBL253931 0.76 SCN5A (0.83) SCN5ASCN1ASCN2AGPR139
SCHEMBL252119 0.76 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139GRM2
SCHEMBL252947 0.74 SCN5A (0.77) SCN5ASCN1ASCN2AGPR139
SCHEMBL318208 0.74 SCN5A (0.67) SCN5ASCN1ASCN2AGPR139GRM2
SCHEMBL253720 0.72 SCN5A (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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