SCHEMBL23169163

SCHEMBL23169163

Cc1ccccc1NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.70
▸ CA1 P00915 15/20 0.70
▸ CA2 P00918 15/20 0.70
▸ CA12 O43570 6/20 0.67
▸ CA14 Q9ULX7 2/20 0.61
▸ CA7 P43166 2/20 0.60
▸ USP2 O75604 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ELF3 P78545 2/20 0.56
▸ MED23 Q9ULK4 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54

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
SCHEMBL15828111 0.90 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL23169385 0.90 CA1 (0.68) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.89 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.89 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.89 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL23169167 0.88 CA1 (0.77) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.87 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL412012 0.85 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL29699213 0.85 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.85 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
US-20210096081-A1 POLYMER DYE FOR DETECTING HYDROGEN PEROXIDE AND STRUCTURE FOR DETECTING HYDROGEN PEROXIDE CANON KABUSHIKI KAISHA (JP) 2021-04-01 — — US disclosed
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