SCHEMBL29410425

SCHEMBL29410425

CC(CCC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1)C(=O)NCCOCCOCCN)C(=O)O)C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.43
▸ ALB P02768 1/20 0.43
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ DGAT1 O75907 7/20 0.37
▸ FOLH1 Q04609 8/20 0.36

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
SCHEMBL20515159 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL20515160 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL29410424 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL18291960 0.95 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291963 0.94 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291997 0.94 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291987 0.93 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18291989 0.93 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18281367 0.93 CA9 (0.39) CA9ALBCA1CA2CA12
SCHEMBL18291996 0.93 CA9 (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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455222-B1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF UNIV JOHNS HOPKINS (US) 2022-03-02 — — EP disclosed
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