SCHEMBL26258181

NS(=O)(=O)c1nnc(NC(=O)CCCc2cn(CCCCC(=O)N[C@@H](CCC(=O)O)C(=O)NCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)nn2)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CA9	Q16790	10/20	0.47

▸	ALB	P02768	1/20	0.47

▸	FOLH1	Q04609	8/20	0.45

▸	CA1	P00915	11/20	0.43

▸	CA2	P00918	11/20	0.43

▸	CA12	O43570	4/20	0.43

▸	CA3	P07451	4/20	0.43

▸	CA4	P22748	4/20	0.43

▸	CA6	P23280	4/20	0.43

▸	CA5A	P35218	4/20	0.43

▸	CA7	P43166	4/20	0.43

▸	CA13	Q8N1Q1	4/20	0.43

▸	CA14	Q9ULX7	4/20	0.43

▸	CA5B	Q9Y2D0	4/20	0.43

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
SCHEMBL26258159	0.96	CA9 (0.47)	CA9ALBFOLH1CA1CA2
SCHEMBL26259415	0.85	CA1 (0.54)	CA9ALBCA1CA2CA12
SCHEMBL16983571	0.84	CA9 (0.53)	CA9ALBFOLH1CA1CA2
SCHEMBL19153307	0.82	CA9 (0.47)	CA9ALBFOLH1CA1CA2
SCHEMBL18475601	0.81	CA9 (0.49)	CA9ALBFOLH1CA1CA2
SCHEMBL18281369	0.80	CA9 (0.41)	CA9ALBFOLH1CA1CA2
SCHEMBL18281370	0.80	CA9 (0.41)	CA9ALBFOLH1CA1CA2
SCHEMBL16983568	0.80	CA2 (0.52)	CA9ALBCA1CA2CA12
SCHEMBL21117586	0.79	CA9 (0.40)	CA9ALBFOLH1CA1CA2
SCHEMBL26258293	0.79	CA2 (0.47)	CA9ALBCA1CA2CA12

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-2023155454-A1	CARBONIC ANHYDRASE IX-TARGETING RADIOACTIVE DIAGNOSTIC AND THERAPEUTIC MEDICAMENT AND METHOD FOR PREPARING SAME	无锡诺宇医药科技有限公司	2023-08-24	—	—	WO	disclosed