SCHEMBL28879804

SCHEMBL28879804

O=CCc1ccc(Br)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
FAAH O00519 8/20 0.33
XDH P47989 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL28409734 0.82 SNCA (0.33)
SCHEMBL1426991 0.80 KDM1A (0.35) KDM4E
SCHEMBL29387575 0.80 KDM1A (0.35) KDM4E
SCHEMBL2723303 0.80 ALDH1A1 (0.37) KDM4E
SCHEMBL2283019 0.80 MEN1 (0.38)
SCHEMBL15903966 0.80 CA12 (0.31)
SCHEMBL29434764 0.80 MEN1 (0.38)
SCHEMBL15541448 0.80 XDH (0.44) XDHKDM4E
SCHEMBL3397719 0.80 IDO1 (0.34)
SCHEMBL2432440 0.80 KDM4E (0.45) FAAHKDM4E

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-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed