SCHEMBL13366851

Nc1c(/N=N/c2ccc([SH](=O)=O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(F)c(F)cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	8/20	0.52

▸	THRB	P10828	1/20	0.46

▸	CYP1A2	P05177	3/20	0.44

▸	MEN1	O00255	1/20	0.42

▸	HTT	P42858	1/20	0.42

▸	KMT2A	Q03164	1/20	0.42

▸	PRMT1	Q99873	1/20	0.42

▸	PHLPP2	Q6ZVD8	2/20	0.41

▸	CD40	P25942	1/20	0.40

▸	CD40LG	P29965	1/20	0.40

▸	CYP2C9	P11712	1/20	0.39

▸	MAPK1	P28482	1/20	0.39

▸	DNASE1L3	Q13609	1/20	0.39

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
SCHEMBL13366835	0.93	ENPP2 (0.49)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL13366853	0.89	ENPP2 (0.49)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL18218263	0.85	ENPP2 (0.51)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL11119702	0.78	ENPP2 (0.60)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL8761659	0.78	ENPP2 (0.60)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL10706610	0.78	ENPP2 (0.66)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL10394548	0.78	ENPP2 (0.66)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL16062682	0.77	PRMT1 (0.58)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL9234263	0.77	ENPP2 (0.70)	ENPP2THRBCYP1A2MEN1HTT
SCHEMBL9234257	0.77	ENPP2 (0.70)	ENPP2THRBCYP1A2MEN1HTT

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