SCHEMBL21783398

SCHEMBL21783398

Cc1sc([S+]([O-])Nc2cccc(F)n2)cc1NCc1c(F)cccc1Br

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 12/20 0.62
SCN5A Q14524 12/20 0.62
SCN8A Q9UQD0 12/20 0.62
CD38 P28907 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NTRK1 P04629 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
SCHEMBL21783400 0.77 SCN1A (1.00) SCN1ASCN5ASCN8AALDH1A1
SCHEMBL21793973 0.73 SCN1A (0.32) SCN1ASCN5ASCN8A
SCHEMBL21793928 0.70 MEN1 (0.36) SCN1ASCN5ASCN8AMEN1ALDH1A1
SCHEMBL21783452 0.69 SCN1A (0.53) SCN1ASCN5ASCN8AMEN1ALDH1A1
SCHEMBL31018018 0.68 SCN1A (0.78) SCN1ASCN5ASCN8AALDH1A1
SCHEMBL21783449 0.68 SCN1A (0.78) SCN1ASCN5ASCN8AALDH1A1
SCHEMBL20256712 0.62 SCN5A (0.47) SCN1ASCN5ASCN8AMEN1ALDH1A1
SCHEMBL23526016 0.58 EED (0.40) SCN1ASCN5ASCN8AMEN1ALDH1A1
SCHEMBL29945862 0.58 EED (0.40) SCN1ASCN5ASCN8AMEN1ALDH1A1
SCHEMBL28616526 0.55 EED (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2

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