SCHEMBL19817547

SCHEMBL19817547

CC(C)(C)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.59
▸ CA2 P00918 12/20 0.59
▸ CA9 Q16790 12/20 0.59
▸ CA12 O43570 8/20 0.59
▸ CA14 Q9ULX7 4/20 0.59
▸ CA7 P43166 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PLEC Q15149 1/20 0.52
▸ BTK Q06187 3/20 0.45
▸ ELF3 P78545 2/20 0.45
▸ MED23 Q9ULK4 2/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45

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
SCHEMBL19818217 0.88 CA9 (0.77) CA1CA2CA9CA12CA14
SCHEMBL10031014 0.85 USP2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL19817548 0.83 USP2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL19958456 0.83 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL10035689 0.82 USP2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL17833664 0.82 USP2 (0.64) CA1CA2CA9CA12CA14
SCHEMBL16103947 0.81 USP2 (0.62) CA1CA2CA9CA12CA14
SCHEMBL14510941 0.81 USP2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL19705803 0.80 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL19817551 0.79 CA9 (0.57) CA1CA2CA9CA12CA14

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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