SCHEMBL16626844

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1cc(S(=O)(=O)O)c(NC(=O)CCCS(=O)(=O)CCCl)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	FUT8	Q9BYC5	1/20	0.37

▸	CHAT	P28329	3/20	0.33

▸	USP2	O75604	1/20	0.33

▸	APEX1	P27695	1/20	0.33

▸	ENPP3	O14638	1/20	0.32

▸	ENPP1	P22413	1/20	0.32

▸	HPGDS	O60760	1/20	0.31

▸	P2RX7	Q99572	1/20	0.31

▸	P2RX2	Q9UBL9	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
SCHEMBL16626825	0.94	FUT8 (0.36)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624659	0.93	FUT8 (0.39)	FUT8CHATUSP2APEX1
SCHEMBL16624668	0.87	FUT8 (0.45)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626824	0.85	FUT8 (0.46)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624664	0.83	FUT8 (0.36)	FUT8
SCHEMBL16626840	0.79	FUT8 (0.39)	FUT8
SCHEMBL45600	0.78	FUT8 (0.44)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404324	0.77	FUT8 (0.42)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL13880709	0.76	FUT8 (0.42)	FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624663	0.76	FUT8 (0.45)	FUT8CHATUSP2APEX1ENPP3

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-9193870-B2	Fibre-reactive dyes, their preparation and their use	HUNTSMAN INTERNATIONAL LLC (US)	2015-11-24	—	—	US	disclosed
US-20150096131-A1	Fibre-Reactive Dyes, Their Preparation and Their Use	HUNTSMAN INTERNATIONAL LLC	2015-04-09	—	—	US	disclosed