SCHEMBL29464451

SCHEMBL29464451

CCOC(=O)C1(C)CCN(c2cccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(-c4ccccc4C)n3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
TACR1 P25103 2/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KIF18A Q8NI77 5/20 0.31
P2RY12 Q9H244 1/20 0.31
GAA P10253 1/20 0.30
SCN1A P35498 1/20 0.30
SCN8A Q9UQD0 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
SCHEMBL19925244 1.00 SCN9A (0.33) SCN9AJAK2JAK1JAK3TACR1
SCHEMBL29464906 0.92 KIF18A (0.33) SCN9AOPRM1OPRD1OPRK1MEN1
SCHEMBL19968854 0.92 KIF18A (0.33) SCN9AOPRM1OPRD1OPRK1MEN1
SCHEMBL19925765 0.91 WDR5 (0.33) SCN9AJAK2JAK1JAK3OPRM1
SCHEMBL29464865 0.91 JAK2 (0.33) SCN9AJAK2JAK1JAK3KIF18A
SCHEMBL19925121 0.91 JAK2 (0.33) SCN9AJAK2JAK1JAK3KIF18A
SCHEMBL19925001 0.90 RORC (0.35) SCN9ATACR1KIF18ASCN1ASCN8A
SCHEMBL29464323 0.90 RORC (0.35) SCN9ATACR1KIF18ASCN1ASCN8A
SCHEMBL19925158 0.89 ALDH1A1 (0.33) JAK2JAK1JAK3OPRM1OPRD1
SCHEMBL19951309 0.87 RBP4 (0.34) SCN9AKIF18ASCN1ASCN8A

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 2 patents. 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 claimed
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