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SCHEMBL26258159

SCHEMBL26258159

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.47
▸ ALB P02768 1/20 0.47
▸ CA1 P00915 14/20 0.44
▸ CA2 P00918 14/20 0.44
▸ CA12 O43570 5/20 0.44
▸ CA3 P07451 5/20 0.44
▸ CA4 P22748 5/20 0.44
▸ CA6 P23280 5/20 0.44
▸ CA5A P35218 5/20 0.44
▸ CA7 P43166 5/20 0.44
▸ CA13 Q8N1Q1 5/20 0.44
▸ CA14 Q9ULX7 5/20 0.44
▸ CA5B Q9Y2D0 5/20 0.44
▸ FOLH1 Q04609 5/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL26258181 0.96 CA9 (0.47) CA9ALBCA1CA2CA12
SCHEMBL26259415 0.89 CA1 (0.54) CA9ALBCA1CA2CA12
SCHEMBL16983571 0.85 CA9 (0.53) CA9ALBCA1CA2CA12
SCHEMBL16983568 0.84 CA2 (0.52) CA9ALBCA1CA2CA12
SCHEMBL18475601 0.83 CA9 (0.49) CA9ALBCA1CA2CA12
SCHEMBL19153307 0.83 CA9 (0.47) CA9ALBCA1CA2CA12
SCHEMBL26258293 0.82 CA2 (0.47) CA9ALBCA1CA2CA12
SCHEMBL18281370 0.80 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18281369 0.80 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL26258287 0.80 CA9 (0.54) 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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