SCHEMBL29464865

SCHEMBL29464865

CCOC(=O)C1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(-c4cccc(F)c4C)n3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN1A P35498 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
ADORA2A P29274 1/20 0.31
RORC P51449 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
LRRK2 Q5S007 1/20 0.30
WDR5 P61964 1/20 0.30
KIF18A Q8NI77 5/20 0.30
TSHR P16473 1/20 0.30
SCN5A Q14524 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
SCHEMBL19925121 1.00 JAK2 (0.33) JAK2JAK1JAK3SCN9ASCN1A
SCHEMBL19925244 0.91 SCN9A (0.33) JAK2JAK1JAK3SCN9ASCN1A
SCHEMBL29464451 0.91 SCN9A (0.33) JAK2JAK1JAK3SCN9ASCN1A
SCHEMBL19951371 0.90 RORC (0.39) SCN9ASCN1ASCN8AADORA2ARORC
SCHEMBL19925193 0.90 JAK2 (0.33) JAK2JAK1JAK3SCN9AADORA2A
SCHEMBL19925765 0.89 WDR5 (0.33) JAK2JAK1JAK3SCN9ASCN1A
SCHEMBL19968854 0.88 KIF18A (0.33) SCN9AKIF18A
SCHEMBL29464906 0.88 KIF18A (0.33) SCN9AKIF18A
SCHEMBL22323141 0.87 CYP3A4 (0.36) SCN9ASCN1ASCN8AADORA2ARORC
SCHEMBL24360698 0.84 CYP3A4 (0.33) SCN9ASCN1ASCN8AKIF18ASCN5A

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