SCHEMBL29464381

SCHEMBL29464381

O=C(O)[C@H]1CCCN(c2cccc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(-c4ccccc4C4CCC4)n3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.38
MPL P40238 2/20 0.37
ITGB2 P05107 4/20 0.37
ICAM1 P05362 4/20 0.37
ITGAL P20701 4/20 0.37
NOTUM Q6P988 1/20 0.35
SYK P43405 1/20 0.34
SERPINE1 P05121 2/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
SCN9A Q15858 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
HSD11B1 P28845 1/20 0.33
RORC P51449 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL19951406 1.00 IDH2 (0.38) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL19951415 1.00 IDH2 (0.38) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL19951405 1.00 IDH2 (0.38) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL29464444 1.00 IDH2 (0.38) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL29464420 0.90 IDH2 (0.39) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL19951391 0.90 IDH2 (0.39) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL19925047 0.90 IDH2 (0.39) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL29464498 0.90 IDH2 (0.39) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL29464387 0.89 ITGB2 (0.38) IDH2MPLITGB2ICAM1ITGAL
SCHEMBL29464328 0.89 ITGB2 (0.38) IDH2MPLITGB2ICAM1ITGAL

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