SCHEMBL14346805

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c1/N=N/c1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(Nc5nc(Cl)nc(Nc6ccc(S(=O)(=O)CCOS(=O)(=O)O)cc6)n5)ccc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	FUT8	Q9BYC5	1/20	0.49

▸	THRB	P10828	1/20	0.43

▸	ENPP2	Q13822	7/20	0.35

▸	CHAT	P28329	3/20	0.34

▸	USP2	O75604	1/20	0.34

▸	APEX1	P27695	1/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	PRMT1	Q99873	2/20	0.33

▸	CARM1	Q86X55	1/20	0.33

▸	CD40	P25942	1/20	0.32

▸	CD40LG	P29965	1/20	0.32

▸	CYP1A2	P05177	1/20	0.32

▸	PHLPP2	Q6ZVD8	1/20	0.32

▸	ENPP3	O14638	1/20	0.31

▸	ENPP1	P22413	1/20	0.31

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
SCHEMBL14514299	0.95	FUT8 (0.54)	FUT8THRBENPP2CHATUSP2
SCHEMBL14346821	0.89	THRB (0.50)	FUT8THRBENPP2MEN1HTT
SCHEMBL16624647	0.89	FUT8 (0.54)	FUT8THRBENPP2CHATUSP2
SCHEMBL14388939	0.88	THRB (0.55)	FUT8THRBENPP2CHATUSP2
SCHEMBL16624649	0.85	FUT8 (0.52)	FUT8THRBENPP2CHATUSP2
SCHEMBL14346964	0.85	THRB (0.57)	THRBENPP2MEN1HTTKMT2A
SCHEMBL13070021	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14346743	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL14346963	0.85	THRB (0.58)	THRBENPP2MEN1HTTKMT2A
SCHEMBL16626832	0.85	FUT8 (0.55)	FUT8THRBENPP2CHATUSP2

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
WO-2007147774-A2	DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF	DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE)	2007-12-27	—	—	WO	disclosed