SCHEMBL28112609

SCHEMBL28112609

ClC1(c2cccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.49
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 6/20 0.49
CYP2A6 P11509 4/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
HPRT1 P00492 1/20 0.37
PAX8 Q06710 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL28033596 0.76 CYP11B2 (0.43) SLC6A3SLC6A4SLC6A2KDM4ECYP3A4
SCHEMBL29186331 0.74 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL28112566 0.74 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL28485903 0.74 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL29876796 0.74 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2CYP2A6KDM4E
SCHEMBL25155197 0.74 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2CYP2A6KDM4E
SCHEMBL3250205 0.72 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL8747018 0.71 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL30344677 0.71 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2
SCHEMBL31513789 0.71 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187927-A A kind of preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2016-12-07 CN claimed
CN-106187927-B Preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2020-02-04 CN disclosed
CN-106187927-B Preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2020-02-04 CN disclosed
CN-106187927-A A kind of preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2016-12-07 CN disclosed