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Sugi Predict / Compounds / SCHEMBL16272749

SCHEMBL16272749

SCHEMBL16272749

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc(c1O)C2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.67
▸ CA1 P00915 17/20 0.67
▸ CA2 P00918 17/20 0.67
▸ CA12 O43570 8/20 0.64
▸ CA14 Q9ULX7 4/20 0.59
▸ CA7 P43166 2/20 0.58
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL16272339 0.96 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL19817550 0.89 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL16272342 0.85 CA1 (0.56) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.83 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.83 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.83 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.81 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL23169167 0.81 CA1 (0.77) CA9CA1CA2CA12CA14
SCHEMBL19817551 0.81 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL14163754 0.80 CA9 (1.00) 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-20140357503-A1 METHOD AND ARRAY FOR IDENTIFYING HISTONE-CODE-RELATED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-12-04 — — US disclosed
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