SCHEMBL18099762

SCHEMBL18099762

CC/N=c1/ccc2c(-c3ccc(NC(=S)Nc4cccc(B(O)O)c4)cc3C(=O)O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 14/20 0.48
▸ CA2 P00918 14/20 0.48
▸ CA9 Q16790 14/20 0.48
▸ TLR7 Q9NYK1 1/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CA14 Q9ULX7 3/20 0.42
▸ CA7 P43166 2/20 0.41
▸ OPRD1 P41143 3/20 0.39

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
SCHEMBL16124807 0.87 TLR7 (0.55) CA1CA2CA9TLR7CA12
SCHEMBL16124815 0.82 TLR7 (0.50) CA1CA2CA9TLR7CA12
SCHEMBL15107472 0.81 CA1 (0.41) CA1CA2CA9TLR7CA12
SCHEMBL16204435 0.81 CA1 (0.41) CA1CA2CA9TLR7CA12
SCHEMBL17517217 0.80 TGM2 (0.42) —
SCHEMBL15100483 0.80 TGM2 (0.42) —
Hydrochloric Acid SCHEMBL11336327 0.79 TGM2 (0.42) —
SCHEMBL17359485 0.79 MEN1 (0.42) CA1CA2CA9TLR7CA12
SCHEMBL16124797 0.77 CA9 (0.77) CA1CA2CA9CA12CA14
SCHEMBL15100480 0.74 ABCB1 (0.53) —

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-20160282355-A1 MATERIALS AND METHODS FOR ANALYSING GLYCATION UNIV BATH (GB) 2016-09-29 — — US disclosed
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