SCHEMBL14613209

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(/N=N/c4ccc(Nc5ccc(/N=N/c6cc(S(=O)(=O)O)cc7cc(S(=O)(=O)O)c(/N=N/c8ccc(S(=O)(=O)CCOS(=O)(=O)O)cc8S(=O)(=O)O)c(O)c67)c(O)c5)cc4O)c3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PRMT1	Q99873	1/20	0.51

▸	ENPP2	Q13822	6/20	0.48

▸	FUT8	Q9BYC5	1/20	0.46

▸	CYP1A2	P05177	2/20	0.44

▸	CD40	P25942	1/20	0.44

▸	CD40LG	P29965	1/20	0.44

▸	CYP2C9	P11712	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	DNASE1L3	Q13609	1/20	0.43

▸	MEN1	O00255	3/20	0.42

▸	KMT2A	Q03164	3/20	0.42

▸	HTT	P42858	1/20	0.42

▸	THRB	P10828	3/20	0.41

▸	PHLPP2	Q6ZVD8	2/20	0.37

▸	TDP1	Q9NUW8	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
SCHEMBL14400925	0.93	PRMT1 (0.51)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL14582587	0.89	PRMT1 (0.41)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL14613146	0.84	PRMT1 (0.46)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL14374506	0.83	PRMT1 (0.41)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL13880558	0.83	MEN1 (0.59)	PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14495438	0.82	PRMT1 (0.51)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL24157447	0.81	THRB (0.60)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL16551869	0.81	THRB (0.60)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL4991193	0.80	PRMT1 (0.48)	PRMT1ENPP2FUT8CYP1A2CD40
SCHEMBL4991205	0.80	PRMT1 (0.48)	PRMT1ENPP2FUT8CYP1A2CD40

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8372161-B2	Method for the reactive coloring of leather	BASF SE (DE)	2013-02-12	—	—	US	disclosed
US-20070033746-A1	Method for the reactive coloring of leather	BASF AKTIENGESSELLSCHAFT (DE)	2007-02-15	—	—	US	disclosed