SCHEMBL28088708

SCHEMBL28088708

CCOC(=O)CC(C[N+](=O)[O-])c1ccc(C[SH](=O)=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
F10 P00742 4/20 0.34
F2 P00734 3/20 0.34
PRSS1 P07477 1/20 0.33
ALDH1A1 P00352 6/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
FBP1 P09467 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16879221 0.80 MAPT (0.39) MAPTLMNAKDM4EF10F2
SCHEMBL657923 0.79 MAPT (0.46) MAPTLMNAKDM4EF10F2
SCHEMBL563397 0.78 F10 (0.43) MAPTLMNAKDM4EF10F2
SCHEMBL20475388 0.76 KDM4E (0.44) MAPTLMNAKDM4EF10F2
SCHEMBL1269548 0.75 F10 (0.44) MAPTLMNAKDM4EF10F2
SCHEMBL1269176 0.74 MAPT (0.46) MAPTLMNAKDM4EF10F2
SCHEMBL20475361 0.74 MAPT (0.46) MAPTLMNAKDM4EF10F2
SCHEMBL482069 0.74 MAPT (0.46) MAPTLMNAKDM4EF10F2
SCHEMBL9294262 0.74 F2 (0.50) MAPTLMNAKDM4EF10F2
SCHEMBL20475336 0.73 KDM4E (0.41) MAPTLMNAKDM4EF10F2

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-105849101-A Novel imidazolidine-2,4-dione derivatives 益普生制药股份有限公司 2016-08-10 CN disclosed