SCHEMBL16272818

SCHEMBL16272818

NOC(=O)c1cc(NC(=S)NCc2ccc(-c3cc4c(O)c(c3)Cc3cc(S(=O)(=O)O)cc(c3O)Cc3cc(S(=O)(=O)O)cc(c3O)Cc3cc(S(=O)(=O)O)cc(c3O)C4)cc2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.65
▸ CA1 P00915 17/20 0.65
▸ CA2 P00918 17/20 0.65
▸ CA12 O43570 8/20 0.65
▸ CA14 Q9ULX7 4/20 0.65
▸ CA7 P43166 2/20 0.57
▸ ELF3 P78545 1/20 0.47
▸ MED23 Q9ULK4 1/20 0.47
▸ FKBP1A P62942 1/20 0.46

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
SCHEMBL19817551 0.86 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL16272339 0.82 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL13070942 0.79 CA9 (1.00) CA9CA1CA2CA12CA14
SCHEMBL16272749 0.79 CA9 (0.67) CA9CA1CA2CA12CA14
SCHEMBL16272342 0.78 CA1 (0.56) CA9CA1CA2CA12CA14
SCHEMBL13970758 0.78 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL19817550 0.75 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL19818217 0.74 CA9 (0.77) CA9CA1CA2CA12CA14
SCHEMBL4468498 0.73 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL10292504 0.73 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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