SCHEMBL28870519

SCHEMBL28870519

COc1cc(C=CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1OC(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
GPR183 P32249 13/20 0.68
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL28640023 1.00 KDM4E (0.69) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28640191 0.88 KDM4E (0.66) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28632925 0.88 ALDH1A1 (0.66) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL31532988 0.87 GPR183 (0.73) KDM4EALDH1A1GPR183
SCHEMBL28637687 0.85 KDM4E (0.66) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28642145 0.84 TDP1 (0.63) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28639830 0.84 KDM4E (0.65) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28925276 0.82 GPR183 (0.63) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL16599053 0.81 GPR183 (1.00) KDM4EALDH1A1GPR183
SCHEMBL16599051 0.81 GPR183 (1.00) KDM4EALDH1A1GPR183

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-113461639-B Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2022-11-01 CN disclosed