SCHEMBL23699016

SCHEMBL23699016

Cc1ccc(S(=O)(=O)n2ccc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 3/20 0.41
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD11B1 P28845 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH3A1 P30838 1/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28282196 0.86 HTR6 (0.45) L3MBTL1PKMHTTALDH1A1MEN1
SCHEMBL28733500 0.85 HTT (0.47) CA2L3MBTL1PKMHTTALDH1A1
SCHEMBL5768468 0.76 CA1 (0.47) CA1CA2RAPGEF4L3MBTL1PKM
SCHEMBL12359763 0.74 HTR6 (0.58) L3MBTL1HTTALDH1A1MEN1KMT2A
SCHEMBL8962760 0.73 LMNA (0.44) CA1CA2RAPGEF4L3MBTL1PKM
SCHEMBL30877454 0.73 RAPGEF4 (0.47) CA1CA2RAPGEF4L3MBTL1PKM
SCHEMBL12612442 0.72 RAPGEF4 (0.56) CA1CA2RAPGEF4L3MBTL1PKM
SCHEMBL23762156 0.70 L3MBTL1 (0.46) L3MBTL1PKMALDH1A1HSD11B1MEN1
SCHEMBL23120015 0.70 L3MBTL1 (0.46) CA1CA2RAPGEF4L3MBTL1PKM
SCHEMBL4277234 0.70 L3MBTL1 (0.49) CA1CA2RAPGEF4L3MBTL1PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024041586-A1 PRODRUG OF JAK KINASE INHIBITOR 启元生物(杭州)有限公司 2024-02-29 WO disclosed
CN-115403594-A Nitrogen-containing tricyclic compound and application thereof 正大天晴药业集团股份有限公司 2022-11-29 CN disclosed
CN-114728967-A Tri-heterocyclic compounds as JAK inhibitors and application thereof 正大天晴药业集团股份有限公司 2022-07-08 CN disclosed
EP-3856742-A1 TRICYCLIC JANUS KINASE 1 INHIBITORS, AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2021-08-04 EP disclosed
CN-110483514-A The ring hydrazine derivate and its application that a kind of cyano replaces VIVAVISION BIOPHARMA SHANGHAI CO LTD 2019-11-22 CN disclosed
CN-106336413-A Compounds used as JAK inhibitor, and use of compounds 广东东阳光药业有限公司 2017-01-18 CN disclosed