SCHEMBL9501266

SCHEMBL9501266

Nc1ccc2c(S(=O)(=O)CCO)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
CA2 P00918 6/20 0.43
HTR6 P50406 1/20 0.42
APEX1 P27695 1/20 0.41
NSD2 O96028 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
ATIC P31939 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP2 Q9HC62 1/20 0.36
TTR P02766 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL9149809 0.88 CTDSP1 (0.47) PLAUCA2HTR6APEX1CA1
SCHEMBL6562190 0.84 PLAU (0.49) PLAUCA2HTR6NSD2DUSP3
SCHEMBL7624190 0.83 PLAU (0.43) PLAUCA2HTR6APEX1NSD2
SCHEMBL29516390 0.80 PLAU (0.56) PLAUCA2HTR6APEX1NSD2
SCHEMBL342865 0.80 PLAU (0.56) PLAUCA2HTR6APEX1NSD2
SCHEMBL9097803 0.80 CA1 (0.53) CA2HTR6APEX1CA1CA9
SCHEMBL3849624 0.79 PLAU (0.55) PLAUCA2HTR6APEX1NSD2
SCHEMBL1346003 0.77 CA2 (0.63) PLAUCA2HTR6NSD2DUSP3
SCHEMBL30440356 0.77 CA2 (0.63) PLAUCA2HTR6NSD2DUSP3
SCHEMBL11426051 0.77 APEX1 (0.49) CA2HTR6APEX1NSD2ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384265-B1 PROCESS FOR THE PREPARATION OF BETA-CHLOROETHYL SULFONYL ARYL ISOCYANATES HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-31 EP disclosed
EP-0384265-A1 Process for the preparation of beta-chloroethyl sulfonyl aryl isocyanates HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
US-4948917-A REACTING PHOSGENE AND BETA-HYDROXYETHYLSULFONYL-ARYLAMINE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed