SCHEMBL28145752

SCHEMBL28145752

COC(=O)CSc1nnc(C(=O)O)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.62
CYP2C19 P33261 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
SLC22A11 Q9NSA0 1/20 0.62
SLC2A9 Q9NRM0 2/20 0.52
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL28666334 0.88 SLC22A12 (0.61) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL249022 0.87 SLC22A12 (0.78) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL12516448 0.87 SLC22A12 (0.60) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL250383 0.87 SLC22A12 (0.60) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL11915751 0.83 SLC22A12 (0.71) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4736291 0.81 SLC22A12 (0.60) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL30487683 0.80 SLC22A12 (0.51) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL15555009 0.80 SLC22A12 (0.51) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4735395 0.79 SLC22A12 (0.70) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL10176748 0.79 SLC22A12 (0.77) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2

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
CN-106632108-A Preparation method of lesinurad 湖南欧亚生物有限公司 2017-05-10 CN disclosed