SCHEMBL13069620

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)O)c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)P)cc4S(=O)(=O)O)c(N)c3c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	THRB	P10828	1/20	0.46

▸	ENPP2	Q13822	7/20	0.38

▸	MEN1	O00255	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	CD40	P25942	1/20	0.33

▸	CD40LG	P29965	1/20	0.33

▸	PHLPP2	Q6ZVD8	3/20	0.33

▸	CYP1A2	P05177	1/20	0.32

▸	CA2	P00918	1/20	0.30

▸	CA3	P07451	1/20	0.30

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
SCHEMBL14346964	0.89	THRB (0.57)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14346743	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14346963	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13070021	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13069508	0.82	THRB (0.62)	THRBENPP2MEN1HTTKMT2A
SCHEMBL24157450	0.81	THRB (0.67)	THRBENPP2MEN1HTTKMT2A
SCHEMBL24157451	0.81	THRB (0.67)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14388749	0.81	THRB (0.67)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13880627	0.79	ENPP2 (0.52)	THRBENPP2MEN1KMT2ACD40
SCHEMBL16551869	0.78	THRB (0.60)	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
EP-2035507-B1	DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF	DYSTAR COLOURS DEUTSCHLAND GMB (DE)	2010-11-17	—	—	EP	disclosed