SCHEMBL14388928

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c2c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	THRB	P10828	1/20	0.61

▸	ENPP2	Q13822	9/20	0.48

▸	MEN1	O00255	1/20	0.42

▸	HTT	P42858	1/20	0.42

▸	KMT2A	Q03164	1/20	0.42

▸	PTPN1	P18031	3/20	0.42

▸	CYP1A2	P05177	1/20	0.39

▸	USP2	O75604	1/20	0.38

▸	ATM	Q13315	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	PHLPP2	Q6ZVD8	3/20	0.38

▸	CA2	P00918	1/20	0.37

▸	CA3	P07451	1/20	0.37

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
SCHEMBL14388838	0.94	THRB (0.62)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14388748	0.94	THRB (0.62)	THRBENPP2MEN1HTTKMT2A
SCHEMBL18684928	0.94	ENPP2 (0.49)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14388841	0.93	THRB (0.51)	THRBENPP2MEN1HTTKMT2A
SCHEMBL18684919	0.91	ENPP2 (0.47)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13880595	0.90	THRB (0.62)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13340503	0.88	THRB (0.47)	THRBENPP2MEN1HTTKMT2A
SCHEMBL18684936	0.87	THRB (0.53)	THRBENPP2MEN1HTTKMT2A
SCHEMBL18684918	0.87	THRB (0.53)	THRBENPP2MEN1HTTKMT2A
SCHEMBL19213913	0.87	THRB (0.54)	THRBENPP2MEN1HTTKMT2A

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20070271711-A1	Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof	DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE)	2007-11-29	—	—	US	disclosed