SCHEMBL9763798

SCHEMBL9763798

O=[N+]([O-])c1c(Cl)cccc1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPY1R P25929 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL10452714 0.87 KMT2A (0.50) HSP90AA1KMT2AMEN1ALDH1A1TSHR
SCHEMBL28285744 0.84 ALDH1A1 (0.50) HSP90AA1KMT2AMEN1ALDH1A1TSHR
SCHEMBL6254627 0.84 GRIN2D (0.41) HSP90AA1KMT2AMEN1ALDH1A1TSHR
SCHEMBL28829380 0.84 ALDH1A1 (0.42) HSP90AA1KMT2AMEN1ALDH1A1TSHR
SCHEMBL517079 0.84 ALDH1A1 (0.45) HSP90AA1KMT2AMEN1ALDH1A1TDP1
SCHEMBL10614779 0.83 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL28312393 0.82 ALDH1A1 (0.44) HSP90AA1KMT2AMEN1ALDH1A1TDP1
SCHEMBL30658731 0.82 HSP90AA1 (0.40) HSP90AA1KMT2AMEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11758752 0.82 GRIN2D (0.40) HSP90AA1KMT2AMEN1ALDH1A1TSHR
SCHEMBL31294204 0.81 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265686-B1 TEST AGENTS AND INDICATORS FOR THE DETECTION OF THIOL GROUPS AND PROCESSES FOR THEIR PREPARATION MILES INC. (US) 1991-11-27 EP claimed
EP-0265686-A2 Test agents and indicators for the detection of thiol groups and processes for their preparation MILES INC. (US) 1988-05-04 EP claimed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-0265686-B1 TEST AGENTS AND INDICATORS FOR THE DETECTION OF THIOL GROUPS AND PROCESSES FOR THEIR PREPARATION MILES INC. (US) 1991-11-27 EP disclosed
US-4994570-A Substituted aryl disulfides; insensitivity to ascorbates MILES INC. (US) 1991-02-19 US disclosed
EP-0289847-B1 PREPARATION OF 2-CHLORO-5-NITRO- AND 4-CHLORO-3-NITROBENZENE-SULFONYL CHLORIDE BAYER AG (DE) 1990-10-31 EP disclosed
US-4962019-A BIS/NITROPHENYL/ DISULFIDE DERIVATIVES MILES INC. (US) 1990-10-09 US disclosed
US-4931579-A Indicators for the detection of thiol groups MILES INC. (US) 1990-06-05 US disclosed
EP-0265686-A2 Test agents and indicators for the detection of thiol groups and processes for their preparation MILES INC. (US) 1988-05-04 EP disclosed
US-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 US disclosed
EP-0027906-B1 PROCESS FOR PREPARING SULPHON AMIDES BAYER AG (DE) 1983-05-25 EP disclosed
EP-0027906-A1 Process for preparing sulphon amides BAYER AG (DE) 1981-05-06 EP disclosed
US-4060549-A Process for preparing sulfonic acid fluorides BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed