SCHEMBL28830396

SCHEMBL28830396

Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCC(OC(N)=O)CC4)c(N)cnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
HTR6 P50406 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR6 P51684 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 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
SCHEMBL30051724 1.00 L3MBTL1 (0.36) L3MBTL1ALOX5RAB9ANPC1HTR6
SCHEMBL28830431 0.95 L3MBTL1 (0.35) L3MBTL1ALOX5RAB9ANPC1HTR6
SCHEMBL28830509 0.95 L3MBTL1 (0.35) L3MBTL1ALOX5RAB9ANPC1HTR6
SCHEMBL30052320 0.95 L3MBTL1 (0.35) L3MBTL1ALOX5RAB9ANPC1HTR6
SCHEMBL28950453 0.88 ALDH1A1 (0.34) L3MBTL1ALOX5RAB9AALDH1A1GAA
SCHEMBL23119942 0.88 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1HTR6CYP3A4
SCHEMBL29634651 0.87 L3MBTL1 (0.35) L3MBTL1RAB9AHTR6ACVR1CYP3A4
SCHEMBL30053626 0.86 L3MBTL1 (0.38) L3MBTL1RAB9AHTR6CYP3A4CYP2D6
SCHEMBL28830386 0.86 L3MBTL1 (0.38) L3MBTL1RAB9AHTR6CYP3A4CYP2D6
SCHEMBL30053498 0.86 L3MBTL1 (0.32) L3MBTL1ALOX5RAB9AACVR1TSHR

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-110724142-B Amide or sulfonamide substituted hydrazine derivatives as JAK kinase inhibitors 启元生物(杭州)有限公司 2022-09-02 CN disclosed
CN-110724142-A Amide or sulfonamide substituted hydrazine derivatives as JAK kinase inhibitors 维眸生物科技(上海)有限公司 2020-01-24 CN disclosed