SCHEMBL29464855

SCHEMBL29464855

O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2ccccc2CO)n1)c1cccc(F)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 15/20 0.39
SCN8A Q9UQD0 15/20 0.39
SCN5A Q14524 10/20 0.37
SLC40A1 Q9NP59 1/20 0.35
NTRK1 P04629 1/20 0.34
SCN9A Q15858 1/20 0.33
IDH2 P48735 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL19968815 1.00 SCN1A (0.39) SCN1ASCN8ASCN5ASLC40A1NTRK1
SCHEMBL22323213 0.91 SCN1A (0.41) SCN1ASCN8ASCN5ASLC40A1SCN9A
SCHEMBL24360868 0.86 SCN1A (0.39) SCN1ASCN8ASCN5ASLC40A1SCN9A
SCHEMBL19927705 0.84 SCN1A (0.38) SCN1ASCN8ASCN5ASLC40A1
SCHEMBL29464874 0.84 SCN1A (0.38) SCN1ASCN8ASCN5ASLC40A1
SCHEMBL22323186 0.84 SCN1A (0.37) SCN1ASCN8ASCN5ASLC40A1SCN9A
SCHEMBL22323258 0.83 SCN1A (0.38) SCN1ASCN8ASCN5ASLC40A1SCN9A
SCHEMBL22117239 0.82 SCN1A (0.38) SCN1ASCN8ASCN5ASCN9A
SCHEMBL22323203 0.82 SLC40A1 (0.40) SCN1ASCN8ASCN5ASLC40A1NTRK1
SCHEMBL22117204 0.82 SLC40A1 (0.41) SCN1ASCN8ASCN5ASLC40A1SCN9A

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
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed