SCHEMBL21783342

SCHEMBL21783342

CC(C)(C)OC(=O)N(c1cscn1)[S+]([O-])c1cnc(NCc2cc(Cl)ccc2F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 10/20 0.38
SCN1A P35498 8/20 0.38
SCN5A Q14524 7/20 0.38
SCN1B Q07699 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
ROCK2 O75116 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PAK1 Q13153 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21783448 0.73 SCN8A (0.42) SCN8ASCN1ASCN5ASCN1BMEN1
SCHEMBL10147870 0.71 SCN8A (0.36) SCN8A
SCHEMBL20256726 0.70 SCN8A (0.43) SCN8ASCN1ASCN5ASCN1B
SCHEMBL21783517 0.70 SCN8A (0.69) SCN8ASCN1ASCN5ASCN1B
SCHEMBL30047171 0.70 SCN8A (0.69) SCN8ASCN1ASCN5ASCN1B
SCHEMBL16120733 0.69 SCN9A (0.34) SCN8ASCN1ASCN5ASCN1B
SCHEMBL21783341 0.69 SCN8A (0.60) SCN8ASCN1ASCN5ASCN1B
SCHEMBL30046287 0.69 SCN8A (0.60) SCN8ASCN1ASCN5ASCN1B
SCHEMBL19627627 0.69 SCN8A (0.46) SCN8ASCN1ASCN5AMEN1KMT2A
SCHEMBL20256416 0.67 SCN8A (0.42) SCN8ASCN1ASCN5ASCN1B

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