SCHEMBL3904667

SCHEMBL3904667

Cc1ccc(S(=O)(=O)Cl)c(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.32
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3898772 0.95 ACHE (0.32) ACHE
SCHEMBL6177768 0.82 KDM4E (0.30) ALDH1A1GAA
SCHEMBL6989336 0.82 KMT2A (0.42) KMT2AALDH1A1NPSR1
SCHEMBL31163698 0.82 ALDH1A1 (0.40) PKMKMT2AALDH1A1GAAL3MBTL1
SCHEMBL6254465 0.80 L3MBTL1 (0.42) ACHEKMT2AALDH1A1GAAL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL38664470 0.80 ACHE (0.34) ACHE
SCHEMBL3907870 0.80 PLK1 (0.34) ACHEPKMALDH1A1NPSR1
SCHEMBL6992915 0.79 KMT2A (0.39) KMT2AALDH1A1NPSR1
SCHEMBL3907421 0.77 L3MBTL1 (0.36) ACHEKMT2AALDH1A1GAAL3MBTL1
SCHEMBL3896152 0.76 PLA2G2A (0.34) ACHEPKMALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US claimed
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5338847-A Hydrolytically stable chemiluminescent labels and their conjugates, and assays therefrom by adduct formation LONDON DIAGNOSTICS, INC. (US) 1994-08-16 US disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed