SCHEMBL21783352

SCHEMBL21783352

Cc1nc(NCc2c(F)cccc2CN(C)C(C)(C)C)ccc1SNc1cscn1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 20/20 0.71
SCN1A P35498 19/20 0.71
SCN5A Q14524 19/20 0.71
NR1I2 O75469 1/20 0.57
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
SCN1B Q07699 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
SCHEMBL21783335 0.85 SCN8A (0.69) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783554 0.84 SCN8A (0.70) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783349 0.83 SCN8A (1.00) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783492 0.82 SCN1A (0.69) SCN8ASCN1ASCN5ANR1I2SCN1B
SCHEMBL21783369 0.81 SCN8A (0.70) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783348 0.80 SCN8A (0.61) SCN8ASCN1ASCN5ANR1I2CYP1A2
Formic Acid SCHEMBL21955459 0.80 SCN8A (0.92) SCN8ASCN1ASCN5ANR1I2CYP1A2
Formic Acid SCHEMBL30045996 0.80 SCN8A (0.92) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783347 0.78 SCN8A (0.70) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783519 0.78 SCN8A (0.72) SCN8ASCN1ASCN5ANR1I2CYP1A2

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