SCHEMBL20020077

SCHEMBL20020077

N#Cc1ccc(-c2cncnc2SCC(=O)N=O)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 0.80
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL9988409 0.89 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL9987734 0.75 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL15159018 0.75 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL15159016 0.74 SLC22A12 (0.67) SLC22A12SLC22A6SLC22A11
SCHEMBL15159020 0.72 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11
SCHEMBL12071486 0.72 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL9987801 0.72 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL21727907 0.71 SLC22A12 (0.59) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL12070811 0.69 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987694 0.68 SLC22A12 (0.78) SLC22A12SLC22A6SLC22A11ABCG2

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
EP-2975025-B1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC (US) 2018-04-04 — — EP disclosed
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