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SCHEMBL19605844

SCHEMBL19605844

Cc1nnc(NC(=O)CCCc2cn(CCCC[C@H](NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)CCC(C)(c3ccc(O)cc3)c3ccc(O)cc3)C(=O)O)C(=O)O)C(=O)NCCOCCOCCNC(=O)c3ccc(I)cc3)nn2)s1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.38
▸ DGAT1 O75907 12/20 0.37
▸ ALB P02768 1/20 0.36
▸ CA9 Q16790 1/20 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
SCHEMBL18291996 0.92 CA9 (0.47) FOLH1DGAT1ALBCA9
SCHEMBL20158617 0.92 DGAT1 (0.38) FOLH1DGAT1
SCHEMBL18292015 0.89 DGAT1 (0.37) FOLH1DGAT1
SCHEMBL18291987 0.88 CA9 (0.41) FOLH1DGAT1ALBCA9
SCHEMBL18292038 0.86 CA9 (0.39) FOLH1DGAT1ALBCA9
SCHEMBL20158620 0.85 DGAT1 (0.35) FOLH1DGAT1
SCHEMBL20515160 0.85 CA9 (0.43) FOLH1DGAT1ALBCA9
SCHEMBL20515159 0.85 CA9 (0.43) FOLH1DGAT1ALBCA9
SCHEMBL29410425 0.85 CA9 (0.43) FOLH1DGAT1ALBCA9
SCHEMBL29410424 0.85 CA9 (0.43) FOLH1DGAT1ALBCA9

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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