SCHEMBL29464447

SCHEMBL29464447

Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CCC[C@H](C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
SYK P43405 2/20 0.38
IDH2 P48735 1/20 0.38
ITGB2 P05107 3/20 0.38
ICAM1 P05362 3/20 0.38
ITGAL P20701 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A1 P30531 1/20 0.38
MPL P40238 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
WDR5 P61964 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAP3K5 Q99683 1/20 0.35
SERPINE1 P05121 1/20 0.35

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
SCHEMBL19925097 1.00 HSD11B1 (0.39) HSD11B1SYKIDH2ITGB2ICAM1
SCHEMBL19925142 1.00 HSD11B1 (0.39) HSD11B1SYKIDH2ITGB2ICAM1
SCHEMBL29464453 1.00 HSD11B1 (0.39) HSD11B1SYKIDH2ITGB2ICAM1
SCHEMBL19925286 0.96 HSD11B1 (0.43) HSD11B1MPLWDR5NOTUM
SCHEMBL29464449 0.96 HSD11B1 (0.43) HSD11B1MPLWDR5NOTUM
SCHEMBL29464420 0.91 IDH2 (0.39) SYKIDH2ITGB2ICAM1ITGAL
SCHEMBL29464498 0.91 IDH2 (0.39) SYKIDH2ITGB2ICAM1ITGAL
SCHEMBL19951391 0.91 IDH2 (0.39) SYKIDH2ITGB2ICAM1ITGAL
SCHEMBL19925047 0.91 IDH2 (0.39) SYKIDH2ITGB2ICAM1ITGAL
SCHEMBL23651293 0.90 FFAR2 (0.38) HSD11B1SYKKDM4EWDR5

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