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Sugi Predict / Compounds / SCHEMBL15828111

SCHEMBL15828111

SCHEMBL15828111

O=C(O)c1cc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.83
▸ CA1 P00915 16/20 0.83
▸ CA2 P00918 16/20 0.83
▸ CA12 O43570 7/20 0.79
▸ CA14 Q9ULX7 3/20 0.72
▸ CA7 P43166 2/20 0.70
▸ USP2 O75604 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ DNASE1L3 Q13609 1/20 0.59
▸ PRMT1 Q99873 1/20 0.59

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
SCHEMBL2234764 0.98 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.94 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.94 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL29699213 0.94 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.94 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL412012 0.94 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL23169384 0.93 CA9 (0.76) CA9CA1CA2CA12CA14
SCHEMBL19954964 0.92 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL12060447 0.92 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.92 CA9 (0.72) 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-1863816-B1 SYNTHESIS AND PURIFICATION OF PTEROIC ACID AND CONJUGATES THEREOF ENDOCYTE INC (US) 2014-06-25 — — EP disclosed
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