SCHEMBL9633076

Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.Cc1ccc(O)cc1S(=O)(=O)N(C)[S+](c1ccccc1)c1ccccc1.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F

nearest known ligand 0.37

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	KCNJ6	P48051	5/20	0.37

▸	KCNJ3	P48549	5/20	0.37

▸	KCNJ5	P48544	4/20	0.37

▸	ALDH1A1	P00352	4/20	0.36

▸	GAA	P10253	2/20	0.36

▸	PKM	P14618	1/20	0.36

▸	ESR1	P03372	5/20	0.34

▸	POLB	P06746	3/20	0.34

▸	ESR2	Q92731	3/20	0.34

▸	APEX1	P27695	2/20	0.34

▸	NSD2	O96028	1/20	0.34

▸	RECQL	P46063	1/20	0.34

▸	TDP1	Q9NUW8	1/20	0.34

▸	L3MBTL1	Q9Y468	1/20	0.34

▸	GFER	P55789	1/20	0.33

▸	PDE2A	O00408	1/20	0.33

▸	PDE5A	O76074	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	ALOX15	P16050	1/20	0.33

▸	NFKB1	P19838	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.

Compound	similarity	top predicted	shared targets
SCHEMBL9633070	0.91	KCNJ6 (0.42)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9634210	0.73	ALDH1A1 (0.43)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9634441	0.72	HPGD (0.41)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9340792	0.70	ALDH1A1 (0.56)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9811626	0.67	ALDH1A1 (0.47)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL2325800	0.66	GAA (0.40)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9180736	0.66	ESR1 (0.48)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL10652808	0.66	CA12 (0.57)	ALDH1A1L3MBTL1KMT2ALMNAHTT
SCHEMBL5160754	0.66	ALDH1A1 (0.44)	KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL9633399	0.65	APOBEC3G (0.47)	ALDH1A1TDP1MEN1KMT2ALMNA

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0233567-B1	CURABLE COMPOSITIONS CONTAINING N-SULFONYLAMINOSULFONIUM SALTS AS CATIONICALLY ACTIVE CATALYSTS	BASF Aktiengesellschaft (DE)	1992-05-27	—	—	EP	disclosed
EP-0233567-A2	Curable compositions containing N-sulfonylaminosulfonium salts as cationically active catalysts	BASF Aktiengesellschaft (DE)	1987-08-26	—	—	EP	disclosed