SCHEMBL13271745

SCHEMBL13271745

O=C(O)c1cc(NC(=S)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.65
▸ CA1 P00915 16/20 0.65
▸ CA2 P00918 16/20 0.65
▸ CA12 O43570 8/20 0.65
▸ CA14 Q9ULX7 4/20 0.65
▸ CA7 P43166 2/20 0.63
▸ USP2 O75604 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ELF3 P78545 1/20 0.55
▸ MED23 Q9ULK4 1/20 0.55

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
SCHEMBL14417374 1.00 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.86 CA9 (0.74) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.86 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL14164948 0.85 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL13271743 0.85 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.84 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.84 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.84 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.84 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12185010 0.83 CA9 (0.70) CA9CA1CA2CA12CA14

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-1809340-B1 STOICHIOMETRICALLY DEFINED DYE-LABELED SUBSTANCES FOR MEASURING THE GLOMERULAR FILTRATION RATE UNIV RUPRECHT KARLS HEIDELBERG (DE) 2010-07-07 — — EP disclosed
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