SCHEMBL19456719

SCHEMBL19456719

CC(C)(Sc1ccn2ccnc2c1-c1ccc(C#N)c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 0.63
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A11 Q9NSA0 1/20 0.62
▸ ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL19456720 0.89 SLC22A12 (0.50) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456722 0.80 SLC22A12 (0.60) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL17899925 0.78 SLC22A12 (0.60) SLC22A12
SCHEMBL17899890 0.78 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
Verinurad SCHEMBL29362845 0.77 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
Verinurad SCHEMBL12070797 0.77 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987800 0.73 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL17899878 0.73 SLC22A12 (0.71) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456738 0.72 SLC22A12 (0.47) SLC22A12
Verinurad SCHEMBL18979018 0.71 SLC22A12 (0.88) 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
WO-2017173965-A1 NOVEL URAT1 INHIBITOR AND PHARMACEUTICAL APPLICATION THEREOF 江苏新元素医药科技有限公司 2017-10-12 — — WO disclosed
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