SCHEMBL19605828

SCHEMBL19605828

COC(=O)CN1CCN(CC=O)CCN(CC=O)CCN(CC(=O)NCCOCCOCCNC(=O)[C@H](CCCCn2cc(CCCC(=O)Nc3nnc(S(N)(=O)=O)s3)nn2)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)CCC(C)(c2ccc(O)cc2)c2ccc(O)cc2)C(=O)O)C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 7/20 0.38
▸ ALB P02768 1/20 0.38
▸ DGAT1 O75907 8/20 0.33
▸ CA1 P00915 7/20 0.33
▸ CA2 P00918 7/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ CA14 Q9ULX7 4/20 0.33
▸ FOLH1 Q04609 3/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA10 Q9GZZ6 1/20 0.32
▸ CHRNA9 Q9UGM1 1/20 0.32
▸ CA3 P07451 2/20 0.30
▸ CA6 P23280 2/20 0.30
▸ CA5A P35218 2/20 0.30
▸ CA7 P43166 2/20 0.30
▸ CA13 Q8N1Q1 2/20 0.30
▸ CA5B Q9Y2D0 2/20 0.30

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
SCHEMBL19605919 0.96 CA9 (0.39) CA9ALBDGAT1CA1CA2
SCHEMBL18281369 0.93 CA9 (0.41) CA9ALBDGAT1CA1CA2
SCHEMBL18281370 0.93 CA9 (0.41) CA9ALBDGAT1CA1CA2
SCHEMBL21117586 0.92 CA9 (0.40) CA9ALBDGAT1CA1CA2
SCHEMBL20515160 0.88 CA9 (0.43) CA9ALBDGAT1CA1CA2
SCHEMBL20515159 0.88 CA9 (0.43) CA9ALBDGAT1CA1CA2
SCHEMBL29410425 0.88 CA9 (0.43) CA9ALBDGAT1CA1CA2
SCHEMBL29410424 0.88 CA9 (0.43) CA9ALBDGAT1CA1CA2
SCHEMBL18291960 0.88 CA9 (0.42) CA9ALBDGAT1CA1CA2
SCHEMBL19605826 0.87 CA9 (0.39) CA9ALBDGAT1CA1CA2

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-2017197251-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-16 — — WO disclosed
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