SCHEMBL21783514

SCHEMBL21783514

Cc1nc(SNc2cscn2)ccc1NCc1c(F)cccc1CN1CCC1(C)C

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 20/20 0.72
SCN8A Q9UQD0 20/20 0.72
SCN5A Q14524 18/20 0.72
NR1I2 O75469 2/20 0.58
SCN1B Q07699 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KCNH2 Q12809 1/20 0.57
SCN9A Q15858 1/20 0.57
SCN2A Q99250 1/20 0.57

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
SCHEMBL21783328 0.89 SCN1A (0.70) SCN1ASCN8ASCN5ANR1I2SCN1B
SCHEMBL21783357 0.87 SCN1A (0.71) SCN1ASCN8ASCN5A
SCHEMBL20256855 0.86 SCN8A (0.73) SCN1ASCN8ASCN5ANR1I2SCN1B
SCHEMBL21783422 0.84 SCN1A (0.71) SCN1ASCN8ASCN5A
SCHEMBL21783323 0.84 SCN1A (1.00) SCN1ASCN8ASCN5ANR1I2SCN1B
SCHEMBL21783533 0.83 SCN8A (0.53) SCN1ASCN8ASCN5A
SCHEMBL20256422 0.82 SCN1A (0.72) SCN1ASCN8ASCN5ANR1I2SCN1B
SCHEMBL21783453 0.79 SCN1A (0.49) SCN1ASCN8ASCN5A
SCHEMBL21783335 0.79 SCN8A (0.69) SCN1ASCN8ASCN5ANR1I2SCN1B
Trifluoroacetic Acid SCHEMBL21955453 0.79 SCN1A (0.89) SCN1ASCN8ASCN5ANR1I2SCN1B

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-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed