SCHEMBL28639830

SCHEMBL28639830

C#CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
GPR183 P32249 12/20 0.64
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
APP P05067 2/20 0.49

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
SCHEMBL28641683 0.91 KDM4E (0.65) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL29966676 0.89 ALDH1A1 (0.62) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28635247 0.89 ALDH1A1 (0.62) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28643935 0.89 KDM4E (0.62) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28637687 0.87 KDM4E (0.66) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28870519 0.84 KDM4E (0.69) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL28640023 0.84 KDM4E (0.69) KDM4EALDH1A1GPR183KMT2AMEN1
SCHEMBL31532988 0.84 GPR183 (0.73) KDM4EALDH1A1GPR183
SCHEMBL29967007 0.80 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28644016 0.80 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1L3MBTL1

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 2 patents. 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
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN disclosed