SCHEMBL2221609

NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Cl)nc(Nc6ccc(S(N)(=O)=O)cc6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)cc1.[Na].[Na]

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CA9	Q16790	20/20	0.62

▸	CA1	P00915	19/20	0.62

▸	CA2	P00918	19/20	0.62

▸	CA12	O43570	18/20	0.62

▸	CA14	Q9ULX7	7/20	0.62

▸	CA5A	P35218	2/20	0.57

▸	CA5B	Q9Y2D0	1/20	0.57

▸	CA4	P22748	1/20	0.49

▸	CA6	P23280	1/20	0.49

▸	CA7	P43166	1/20	0.49

▸	CA13	Q8N1Q1	1/20	0.49

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
SCHEMBL2205546	0.92	CHAT (0.53)	CA9CA1CA2CA12CA14
SCHEMBL2204854	0.92	CHAT (0.53)	CA9CA1CA2CA12CA14
SCHEMBL16200042	0.92	CHAT (0.53)	CA9CA1CA2CA12CA14
Potassium SCHEMBL2206081	0.91	CHAT (0.52)	CA9CA1CA2CA12CA14
SCHEMBL2221595	0.89	CA9 (0.62)	CA9CA1CA2CA12CA14
SCHEMBL1536256	0.88	CA12 (0.56)	CA9CA1CA2CA12CA14
SCHEMBL2205601	0.88	CA12 (0.47)	CA9CA1CA2CA12CA14
SCHEMBL18043806	0.88	CA12 (0.47)	CA9CA1CA2CA12CA14
SCHEMBL46608	0.88	ENPP2 (0.49)	CA9CA1CA2CA12CA14
SCHEMBL2204687	0.88	ENPP2 (0.49)	CA9CA1CA2CA12CA14

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-8546300-B2	Thermosensitive recording material and image recording method	RICOH COMPANY, LTD. (JP)	2013-10-01	—	—	US	disclosed
US-20110177941-A1	THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD	RICOH COMPANY, LTD. (JP)	2011-07-21	—	—	US	disclosed