SCHEMBL18633556

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(Nc3cccc(NCO/C(Br)=C/Br)c3)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	4/20	0.42

▸	MEN1	O00255	1/20	0.40

▸	THRB	P10828	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	FUT8	Q9BYC5	1/20	0.38

▸	PTK2	Q05397	1/20	0.32

▸	CHAT	P28329	2/20	0.31

▸	ENPP3	O14638	1/20	0.31

▸	ENPP1	P22413	1/20	0.31

▸	PRMT1	Q99873	2/20	0.31

▸	CARM1	Q86X55	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
SCHEMBL18633387	0.86	ENPP2 (0.47)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12062857	0.85	ENPP2 (0.43)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL13723654	0.82	KMT2A (0.47)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12063080	0.79	ENPP2 (0.41)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL14494794	0.78	ENPP2 (0.40)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL18633526	0.78	MEN1 (0.54)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL13724001	0.76	MEN1 (0.53)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL18633525	0.74	MEN1 (0.53)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12054282	0.74	MAPT (0.39)	ENPP2MEN1THRBKMT2AFUT8
SCHEMBL14217797	0.73	MEN1 (0.52)	ENPP2MEN1THRBKMT2AFUT8

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-2061844-B1	MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING	HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH)	2017-03-15	—	—	EP	disclosed