SCHEMBL16626840

NC(=O)Nc1cc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	FUT8	Q9BYC5	1/20	0.39

▸	MEN1	O00255	2/20	0.34

▸	THRB	P10828	2/20	0.34

▸	KMT2A	Q03164	2/20	0.34

▸	CD40	P25942	1/20	0.34

▸	CD40LG	P29965	1/20	0.34

▸	ENPP2	Q13822	7/20	0.32

▸	NT5E	P21589	1/20	0.32

▸	TDP1	Q9NUW8	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
SCHEMBL16626824	0.93	FUT8 (0.46)	FUT8MEN1THRBKMT2ACD40
SCHEMBL45600	0.86	FUT8 (0.44)	FUT8MEN1THRBKMT2ACD40
SCHEMBL16624668	0.84	FUT8 (0.45)	FUT8MEN1THRBKMT2ACD40
SCHEMBL13880709	0.84	FUT8 (0.42)	FUT8MEN1THRBKMT2ACD40
SCHEMBL6747988	0.84	CA12 (0.36)	FUT8MEN1THRBKMT2ACD40
SCHEMBL13604238	0.83	CA12 (0.30)	—
SCHEMBL13599474	0.83	CA12 (0.30)	—
SCHEMBL13881099	0.82	CA1 (0.39)	FUT8MEN1THRBKMT2ACD40
SCHEMBL15363307	0.82	FUT8 (0.37)	FUT8MEN1THRBKMT2ACD40
SCHEMBL13881093	0.82	FUT8 (0.37)	FUT8MEN1THRBKMT2ACD40

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