SCHEMBL21783379

SCHEMBL21783379

Cc1nc(SNc2cccc(F)n2)ccc1NCc1c(F)cccc1CN(C)C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 20/20 0.68
SCN1A P35498 19/20 0.68
SCN5A Q14524 19/20 0.68
NR1I2 O75469 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN1B Q07699 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41

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
SCHEMBL21783376 0.87 SCN8A (0.69) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783335 0.86 SCN8A (0.69) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL21783378 0.81 SCN1A (1.00) SCN8ASCN1ASCN5A
SCHEMBL21783396 0.80 SCN1A (0.68) SCN8ASCN1ASCN5A
SCHEMBL21783384 0.78 SCN1A (0.67) SCN8ASCN1ASCN5A
Trifluoroacetic Acid SCHEMBL30047259 0.76 SCN1A (0.89) SCN8ASCN1ASCN5A
Trifluoroacetic Acid SCHEMBL21955485 0.76 SCN1A (0.89) SCN8ASCN1ASCN5A
SCHEMBL21783480 0.75 SCN8A (0.51) SCN8ASCN1ASCN5ANR1I2CYP1A2
SCHEMBL26442657 0.74 SCN1A (0.87) SCN8ASCN1ASCN5A
SCHEMBL21783554 0.74 SCN8A (0.70) 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