SCHEMBL7946185

SCHEMBL7946185

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
GRIN2D O15399 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
SCHEMBL7948250 0.84 GAA (0.44) ALDH1A1MAPTNPC1CA2CA12
SCHEMBL7946495 0.84 LMNA (0.49) ALDH1A1MAPTLMNA
SCHEMBL1762393 0.84 VCAM1 (0.41) VCAM1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL8121313 0.82 CA1 (0.36) ALDH1A1MAPTNPC1CA2CA12
SCHEMBL14420868 0.82 CA1 (0.36) VCAM1ALDH1A1MAPTNPC1CA2
SCHEMBL23599328 0.82 CA2 (0.58) VCAM1CA2CA12CA1CA4
SCHEMBL16307388 0.82 PSEN1 (0.41) ALDH1A1CA2CA12CA1CA4
SCHEMBL20078748 0.80 TDP1 (0.39) ALDH1A1MAPTCA2HSD17B10TDP1
SCHEMBL11046300 0.80 ALDH1A1 (0.37) VCAM1ALDH1A1CA2HSD17B10TDP1
SCHEMBL9822418 0.79 IDO1 (0.46) ALDH1A1MAPTNPC1CA2CA12

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-6258984-B1 CHLORINATION OF P-ALKYLBENZENESULFONYL CHLORIDE CLARIANT GMBH (DE) 2001-07-10 US disclosed
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
EP-0571405-B1 Process for preparing 4-alkylsulfonyl-1-alkyl-2-chlorobenzenes and intermediates HOECHST AG (DE) 1996-05-01 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
EP-0571405-A1 PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE. HOECHST AG (DE) 1993-12-01 EP disclosed
WO-1992014700-A1 PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed