SCHEMBL28830386

SCHEMBL28830386

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HTR6 P50406 4/20 0.35
ALDH1A1 P00352 2/20 0.34
NAMPT P43490 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTT P42858 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
SCHEMBL30053626 1.00 L3MBTL1 (0.38) L3MBTL1HTR6ALDH1A1NAMPTCYP3A4
SCHEMBL23119940 0.91 L3MBTL1 (0.36) L3MBTL1HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL23119942 0.91 L3MBTL1 (0.39) L3MBTL1HTR6ALDH1A1NAMPTCYP3A4
SCHEMBL23120001 0.88 L3MBTL1 (0.36) L3MBTL1HTR6ALDH1A1NAMPTPDE5A
SCHEMBL23120054 0.88 L3MBTL1 (0.34) L3MBTL1HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL30051724 0.86 L3MBTL1 (0.36) L3MBTL1HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL28830396 0.86 L3MBTL1 (0.36) L3MBTL1HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL23119964 0.86 L3MBTL1 (0.36) L3MBTL1HTR6ALDH1A1RAB9AHTT
SCHEMBL31656237 0.86 L3MBTL1 (0.41) L3MBTL1HTR6ALDH1A1CYP3A4CYP2C9
SCHEMBL29634651 0.86 L3MBTL1 (0.35) L3MBTL1HTR6ALDH1A1CYP3A4CYP2D6

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