SCHEMBL19817550

SCHEMBL19817550

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.52
▸ CA2 P00918 18/20 0.52
▸ CA9 Q16790 18/20 0.52
▸ CA12 O43570 9/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PLEC Q15149 1/20 0.47
▸ CA7 P43166 3/20 0.46
▸ CA14 Q9ULX7 5/20 0.45
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 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
SCHEMBL16272342 0.96 CA1 (0.56) CA1CA2CA9CA12MEN1
SCHEMBL19817551 0.90 CA9 (0.57) CA1CA2CA9CA12MEN1
SCHEMBL16272749 0.89 CA9 (0.67) CA1CA2CA9CA12USP2
SCHEMBL16272339 0.85 CA9 (0.71) CA1CA2CA9CA12USP2
SCHEMBL19817552 0.83 MEN1 (0.49) CA1CA2CA9CA12MEN1
SCHEMBL17833664 0.78 USP2 (0.64) CA1CA2CA9CA12MEN1
SCHEMBL16103947 0.77 USP2 (0.62) CA1CA2CA9CA12MEN1
SCHEMBL10031014 0.76 USP2 (0.60) CA1CA2CA9CA12MEN1
SCHEMBL19817548 0.76 USP2 (0.60) CA1CA2CA9CA12MEN1
SCHEMBL16272818 0.75 CA9 (0.65) CA1CA2CA9CA12CA7

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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