SCHEMBL21783391

SCHEMBL21783391

CN(Cc1c(F)ccc(F)c1C=N)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21783392 0.80 SCN8A (0.32) SCN1ASCN5ASCN8ARIPK1
SCHEMBL21955474 0.80 SCN8A (0.32) SCN1ASCN5ASCN8ARIPK1
SCHEMBL21783394 0.74 SCN1A (0.35) SCN1ASCN5ASCN8ARIPK1KDM4E
SCHEMBL21783477 0.74 SCN1A (0.33) SCN1ASCN5ASCN8ARIPK1KDM4E
SCHEMBL21777156 0.65 RIPK1 (0.40) SCN1ASCN5ASCN8ARIPK1KDM4E
SCHEMBL25488451 0.65 RIPK1 (0.50) RIPK1KDM4EALDH1A1
SCHEMBL19779344 0.65 NOS3 (0.32)
SCHEMBL20238171 0.62 SCN8A (0.42) SCN1ASCN5ASCN8ARIPK1KDM4E
SCHEMBL14438269 0.62 RIPK1 (0.53) RIPK1KDM4EALDH1A1
SCHEMBL22349494 0.61 HPGD (0.33) KDM4EALDH1A1SMN1; 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