SCHEMBL13445175

SCHEMBL13445175

CC(C)(Sc1nnc(C2=CCCC=C2)n1-c1ccc(C2CC2)c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 20/20 0.67
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
SLC2A9 Q9NRM0 2/20 0.37

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
SCHEMBL13444885 0.90 SLC22A12 (0.54) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1924767 0.85 SLC22A12 (0.76) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL10177145 0.83 SLC22A12 (0.79) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444888 0.80 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1300156 0.80 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1300631 0.80 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1924925 0.80 SLC22A12 (0.98) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL1300065 0.79 SLC22A12 (0.75) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13444911 0.78 SLC22A12 (0.74) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL10176879 0.77 SLC22A12 (0.68) 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 1 patent. 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