SCHEMBL14071649

NC(=O)Nc1cc(Nc2nc(SCC(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)C(=O)O)nc(SCC(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)C(=O)O)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	2/20	0.35

▸	CA1	P00915	2/20	0.35

▸	CA2	P00918	2/20	0.35

▸	CA9	Q16790	2/20	0.35

▸	CA14	Q9ULX7	2/20	0.35

▸	FUT8	Q9BYC5	1/20	0.31

▸	NPR3	P17342	1/20	0.30

▸	USP2	O75604	1/20	0.30

▸	APEX1	P27695	1/20	0.30

▸	CHAT	P28329	1/20	0.30

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
SCHEMBL13599483	0.91	FUT8 (0.36)	CA12CA1CA2CA9CA14
SCHEMBL13793456	0.91	FUT8 (0.36)	CA12CA1CA2CA9CA14
SCHEMBL13604230	0.91	FUT8 (0.36)	CA12CA1CA2CA9CA14
SCHEMBL14071647	0.90	CA12 (0.33)	CA12CA1CA2CA9CA14
SCHEMBL14071616	0.89	CA12 (0.33)	CA12CA1CA2CA9CA14
SCHEMBL13599477	0.86	CHAT (0.36)	CA12CA1CA2CA9FUT8
SCHEMBL13340695	0.86	CHAT (0.36)	CA12CA1CA2CA9FUT8
SCHEMBL13604284	0.86	FUT8 (0.35)	CA12CA1CA2CA9CA14
SCHEMBL13599474	0.85	CA12 (0.30)	CA12CA1CA2CA9CA14
SCHEMBL13604238	0.85	CA12 (0.30)	CA12CA1CA2CA9CA14

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
US-20080216256-A1	Heterobifunctional reactive dyes comprising a cysteamine linking group	NORTH CAROLINA STATE UNIVERSITY (US)	2008-09-11	—	—	US	disclosed