SCHEMBL19817551

SCHEMBL19817551

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(-c3ccc(CNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4)cc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.57
▸ CA1 P00915 17/20 0.57
▸ CA2 P00918 17/20 0.57
▸ CA12 O43570 9/20 0.57
▸ CA14 Q9ULX7 5/20 0.57
▸ CA7 P43166 3/20 0.49
▸ ELF3 P78545 1/20 0.43
▸ MED23 Q9ULK4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PLEC Q15149 1/20 0.42

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
SCHEMBL19817550 0.90 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL16272818 0.86 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL16272342 0.86 CA1 (0.56) CA9CA1CA2CA12CA14
SCHEMBL16272749 0.81 CA9 (0.67) CA9CA1CA2CA12CA14
SCHEMBL19817547 0.79 CA1 (0.59) CA9CA1CA2CA12CA14
SCHEMBL16272339 0.77 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL10031014 0.76 USP2 (0.60) CA9CA1CA2CA12CA14
SCHEMBL19817552 0.73 MEN1 (0.49) CA9CA1CA2CA12CA14
SCHEMBL17833664 0.73 USP2 (0.64) CA9CA1CA2CA12CA14
SCHEMBL16103947 0.73 USP2 (0.62) 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-9879300-B2 Method and array for identifying histone-code-related analytes UVic Industry Partnerships (CA) 2018-01-30 — — US disclosed
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