SCHEMBL28635247

SCHEMBL28635247

C#CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 3/20 0.62
GPR183 P32249 7/20 0.58
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.47

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
SCHEMBL29966676 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28639830 0.89 KDM4E (0.65) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28641683 0.89 KDM4E (0.65) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28651379 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28643935 0.87 KDM4E (0.62) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28642144 0.86 KDM4E (0.69) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28632925 0.85 ALDH1A1 (0.66) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL31533014 0.84 GPR183 (0.66) ALDH1A1KDM4EGPR183ACHE
SCHEMBL29966271 0.84 KDM4E (0.63) ALDH1A1KDM4EGPR183KMT2AMEN1
SCHEMBL28632539 0.84 KDM4E (0.63) ALDH1A1KDM4EGPR183KMT2AMEN1

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-113461639-B Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2022-11-01 CN claimed
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN claimed
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