SCHEMBL28438519

SCHEMBL28438519

CCOC(=O)NN(C(=O)OCC)c1ccc(O)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PSMD14 O00487 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 4/20 0.37
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
HSD17B10 Q99714 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL28438516 0.83 MEN1 (0.43) ALDH1A1MEN1KMT2APSMD14SMN1; SMN2
SCHEMBL28444191 0.82 MEN1 (0.42) ALDH1A1MEN1KMT2APSMD14SMN1; SMN2
SCHEMBL28440077 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28443344 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28438529 0.80 HSD17B2 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28436017 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28421212 0.77 KMT2A (0.50) ALDH1A1MEN1KMT2APSMD14SMN1; SMN2
SCHEMBL10734200 0.76 RAB9A (0.52) ALDH1A1MEN1KMT2APSMD14SMN1; SMN2
SCHEMBL10562771 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28631794 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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-111499545-B Preparation method of p-amino substituted phenol compound 武汉英纳氏药业有限公司 2022-05-03 CN disclosed
CN-111499545-A Preparation method of p-amino substituted phenol compound 湖北工业大学 2020-08-07 CN disclosed