SCHEMBL19370525

NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSSCCO)C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	19/20	0.54

▸	CA2	P00918	19/20	0.54

▸	CA9	Q16790	12/20	0.54

▸	CA4	P22748	12/20	0.54

▸	CA12	O43570	10/20	0.54

▸	CA14	Q9ULX7	10/20	0.54

▸	CA3	P07451	8/20	0.54

▸	CA6	P23280	8/20	0.54

▸	CA5A	P35218	8/20	0.54

▸	CA7	P43166	8/20	0.54

▸	CA13	Q8N1Q1	8/20	0.54

▸	CA5B	Q9Y2D0	8/20	0.54

▸	ALB	P02768	1/20	0.54

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
SCHEMBL20832191	0.91	CA9 (0.51)	CA1CA2CA9CA4CA12
SCHEMBL19370519	0.88	CA1 (0.61)	CA1CA2CA9CA4CA12
SCHEMBL19370528	0.83	CA1 (0.55)	CA1CA2CA9CA4CA12
SCHEMBL19370498	0.82	CA9 (0.59)	CA1CA2CA9CA4CA12
SCHEMBL26259415	0.76	CA1 (0.54)	CA1CA2CA9CA4CA12
SCHEMBL19359112	0.72	CA1 (0.83)	CA1CA2CA9CA4CA12
SCHEMBL19359120	0.71	CA2 (0.77)	CA1CA2CA9CA4CA12
SCHEMBL16983571	0.71	CA9 (0.53)	CA1CA2CA9CA4CA12
SCHEMBL18475601	0.70	CA9 (0.49)	CA1CA2CA9CA4CA12
SCHEMBL27277706	0.69	CA1 (0.73)	CA1CA2CA9CA4CA12

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
WO-2017161144-A1	CARBONIC ANHYDRASE IX INHIBITOR CONJUGATES AND USES THEREOF	ENDOCYTE, INC. (US)	2017-09-21	—	—	WO	disclosed