SCHEMBL19818216

SCHEMBL19818216

CC(C)(C)NC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 16/20 0.72
▸ CA1 P00915 15/20 0.72
▸ CA2 P00918 15/20 0.72
▸ CA12 O43570 6/20 0.69
▸ CA14 Q9ULX7 2/20 0.65
▸ CA7 P43166 2/20 0.63
▸ USP2 O75604 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ FKBP1A P62942 2/20 0.56

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
SCHEMBL15828111 0.92 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL13097493 0.90 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL2234764 0.90 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL14073670 0.89 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL23169164 0.88 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231697 0.88 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL412012 0.88 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL29699213 0.88 CA9 (0.78) CA9CA1CA2CA12CA14
SCHEMBL12231957 0.88 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL18470198 0.88 CA9 (0.72) 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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