SCHEMBL13366714

Nc1c(/N=N/c2cc(F)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4cc(F)nc(F)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	10/20	0.41

▸	FUT8	Q9BYC5	1/20	0.40

▸	CYP1A2	P05177	2/20	0.39

▸	MEN1	O00255	1/20	0.38

▸	HTT	P42858	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	PRMT1	Q99873	1/20	0.37

▸	THRB	P10828	1/20	0.36

▸	CYP2C9	P11712	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	DNASE1L3	Q13609	1/20	0.35

▸	PHLPP2	Q6ZVD8	2/20	0.33

▸	CD40	P25942	1/20	0.33

▸	CD40LG	P29965	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
SCHEMBL13366854	0.92	ENPP2 (0.38)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL13366843	0.91	ENPP2 (0.43)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL13366713	0.90	FUT8 (0.47)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL13366837	0.90	MEN1 (0.41)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL14388755	0.84	THRB (0.54)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL14271167	0.81	ENPP2 (0.51)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL14271166	0.81	ENPP2 (0.50)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL14045325	0.78	FUT8 (0.60)	ENPP2FUT8CYP1A2MEN1HTT
SCHEMBL12053453	0.77	THRB (0.46)	ENPP2FUT8THRBPHLPP2CD40
SCHEMBL14388764	0.77	CD40 (0.46)	ENPP2CYP1A2PRMT1CYP2C9PHLPP2

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-2010057830-A1	RING FLUORINATED REACTIVE DYES	DYSTAR COLOURS DEUTSCHLAND GMBH (DE)	2010-05-27	—	—	WO	disclosed