SCHEMBL21783433

SCHEMBL21783433

CC(C)(C)OC(=O)Nc1cc(F)c(SNc2cscn2)nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
BRAF P15056 1/20 0.36
DGAT1 O75907 2/20 0.33
TGFBR1 P36897 1/20 0.32
CYP17A1 P05093 1/20 0.31
METAP1 P53582 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL21783389 0.86 SCN1A (0.35) SCN1ASCN5ASCN8ABRAFCYP17A1
SCHEMBL21783430 0.81 SCN1A (0.55) SCN1ASCN5ASCN8A
SCHEMBL21783561 0.79 BRAF (0.40) BRAFDGAT1CYP17A1METAP1MAPKAPK2
SCHEMBL21783472 0.75 SCN1A (0.31) SCN1ASCN5ASCN8A
SCHEMBL21783471 0.74 BRAF (0.41) BRAFDGAT1CYP17A1MAPKAPK2
SCHEMBL30045766 0.74 BRAF (0.41) BRAFDGAT1CYP17A1MAPKAPK2
SCHEMBL30046068 0.73 NPSR1 (0.42) BRAF
SCHEMBL21783435 0.73 NPSR1 (0.42) BRAF
SCHEMBL21783559 0.70 BRAF (0.39) SCN1ASCN5ASCN8ABRAFDGAT1
SCHEMBL30045577 0.70 BRAF (0.39) SCN1ASCN5ASCN8ABRAFDGAT1

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