SCHEMBL540736

SCHEMBL540736

COc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 3/20 0.50
SLC40A1 Q9NP59 1/20 0.49
RELA Q04206 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
VCAM1 P19320 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL11973774 0.87 ALDH1A1 (0.47) POLBMCOLN3ALDH1A1MAPK1LMNA
SCHEMBL3919900 0.85 VCAM1 (0.60) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL8960247 0.85 POLB (0.53) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL6038596 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL3906545 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL6038599 0.84 POLB (0.52) POLBMCOLN3ALDH1A1MAPK1SLC40A1
Water SCHEMBL3157352 0.83 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
Hydrochloric Acid SCHEMBL27447923 0.83 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL12727381 0.83 POLB (0.51) POLBMCOLN3ALDH1A1MAPK1SLC40A1
SCHEMBL11091009 0.81 POLB (0.60) POLBMCOLN3ALDH1A1MAPK1SLC40A1

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN claimed
WO-2025106383-A1 PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
CN-107459494-B Benzomorpholone derivative and preparation method and application thereof 四川大学 2021-02-05 CN disclosed
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
CN-107459494-A Benzo morpholone derivative and its production and use 四川大学 2017-12-12 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
WO-1998012211-A1 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE HOECHST MARION ROUSSEL, INC. (US) 1998-03-26 WO disclosed
WO-1998008815-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 EP disclosed
US-4889851-A BONE DISORDERS FUJISAWA PHARMACEUTICAL CO, LTD. (JP) 1989-12-26 US disclosed
EP-0268990-A2 New benzothiadiazine compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed