SCHEMBL7946233

SCHEMBL7946233

C=CCc1ccc(S(=O)(=O)Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CA2 P00918 5/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PKM P14618 1/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL8765889 0.85 POLB (0.49) POLBALDH1A1MAPTL3MBTL1PTGDR
SCHEMBL7946506 0.83 POLB (0.44) POLBALDH1A1MAPTL3MBTL1PTGDR
SCHEMBL8765835 0.81 POLB (0.49) POLBALDH1A1MAPTL3MBTL1PTGDR
SCHEMBL7946185 0.78 VCAM1 (0.38) ALDH1A1MAPTCA2CA1CA9
SCHEMBL8766839 0.77 POLB (0.42) POLBALDH1A1MAPTL3MBTL1PTGDR
SCHEMBL16307388 0.77 PSEN1 (0.41) ALDH1A1CA2CA1CA9CA12
SCHEMBL14420868 0.77 CA1 (0.36) ALDH1A1MAPTCA2CA1CA9
SCHEMBL8121313 0.77 CA1 (0.36) ALDH1A1MAPTCA2CA1CA9
SCHEMBL9822418 0.74 IDO1 (0.46) ALDH1A1MAPTL3MBTL1PTGDRCA2
SCHEMBL249746 0.74 IDO1 (0.54) POLBALDH1A1MAPTL3MBTL1PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258984-B1 CHLORINATION OF P-ALKYLBENZENESULFONYL CHLORIDE CLARIANT GMBH (DE) 2001-07-10 US claimed
EP-0571405-B1 Process for preparing 4-alkylsulfonyl-1-alkyl-2-chlorobenzenes and intermediates HOECHST AG (DE) 1996-05-01 EP claimed
EP-0619303-B1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AG (DE) 1997-08-13 EP disclosed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US disclosed
EP-0619303-A1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed