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Sugi Predict / Compounds / SCHEMBL19818217

SCHEMBL19818217

SCHEMBL19818217

CC(C)(C)c1ccc(CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.77
▸ CA1 P00915 16/20 0.77
▸ CA2 P00918 16/20 0.77
▸ CA12 O43570 8/20 0.77
▸ CA14 Q9ULX7 4/20 0.77
▸ CA7 P43166 2/20 0.66
▸ ELF3 P78545 1/20 0.58
▸ MED23 Q9ULK4 1/20 0.58
▸ BTK Q06187 1/20 0.57
▸ PTGER3 P43115 1/20 0.57

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
SCHEMBL13970758 0.90 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL19817547 0.88 CA1 (0.59) CA9CA1CA2CA12CA14
SCHEMBL13070942 0.87 CA9 (1.00) CA9CA1CA2CA12CA14
SCHEMBL14164948 0.86 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.85 CA9 (0.83) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.85 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL19818216 0.84 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL4468498 0.84 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.84 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.84 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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