SCHEMBL19818214

SCHEMBL19818214

CN(C)c1ccc2c(-c3ccc(NC(=S)NC(C)(C)C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.64
▸ CA2 P00918 14/20 0.64
▸ CA9 Q16790 14/20 0.64
▸ CA12 O43570 6/20 0.64
▸ CA14 Q9ULX7 3/20 0.57
▸ MEN1 O00255 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ P2RY6 Q15077 1/20 0.51
▸ GBA1 P04062 2/20 0.44
▸ ITPR1 Q14643 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ CA7 P43166 2/20 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
SCHEMBL14291308 0.89 CA1 (0.69) CA1CA2CA9CA12CA14
SCHEMBL19818215 0.86 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL13045848 0.84 CA1 (0.60) CA1CA2CA9CA12CA14
SCHEMBL12418856 0.84 CA9 (0.60) CA1CA2CA9CA12CA14
SCHEMBL12716296 0.81 P2RY6 (0.62) CA1CA2CA9CA12CA14
SCHEMBL10293759 0.81 P2RY6 (0.64) CA1CA2CA9CA12CA14
SCHEMBL12307301 0.81 MEN1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL18286480 0.80 P2RY6 (0.60) CA1CA2CA9CA12CA14
SCHEMBL14013405 0.80 MEN1 (0.62) CA1CA2CA9CA12CA14
Tetramethylrhodamine SCHEMBL2054818 0.80 MEN1 (0.71) 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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