SCHEMBL13445220

SCHEMBL13445220

CBc1nnc(SCC(=O)O)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 18/20 0.73
CYP2C9 P11712 4/20 0.73
CYP2C19 P33261 3/20 0.73
CYP3A4 P08684 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
SLC22A11 Q9NSA0 1/20 0.73
SLC2A9 Q9NRM0 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10176748 0.86 SLC22A12 (0.77) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL10008679 0.85 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL879017 0.84 SLC22A12 (0.77) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444978 0.84 SLC22A12 (0.77) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
Lesinurad SCHEMBL842962 0.84 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL15555942 0.84 SLC22A12 (0.77) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
Lesinurad SCHEMBL29353441 0.84 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
Lesinurad SCHEMBL2265513 0.83 SLC22A12 (0.98) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4736274 0.83 SLC22A12 (0.76) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4735973 0.82 SLC22A12 (0.73) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010028190-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-03-11 WO disclosed
WO-2009070740-A2 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-06-04 WO disclosed