SCHEMBL28429475

SCHEMBL28429475

CC(NC(=O)C(O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
HSD17B10 Q99714 2/20 0.47
PHGDH O43175 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
PRCP P42785 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28408400 0.90 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2POLB
SCHEMBL8974575 0.90 MEN1 (0.64) MEN1KMT2AKEAP1NFE2L2POLB
SCHEMBL28002396 0.80 ALDH1A1 (0.58) MEN1KMT2AKEAP1NFE2L2ALDH1A1
SCHEMBL8248497 0.78 CTRB1 (0.45) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL25386581 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL197183 0.78 KEAP1 (0.58) MEN1KMT2AKEAP1NFE2L2POLB
SCHEMBL15514071 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL197182 0.78 KEAP1 (0.58) MEN1KMT2AKEAP1NFE2L2POLB
SCHEMBL7551261 0.78 MEN1 (0.66) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL7551272 0.78 MEN1 (0.66) MEN1KMT2APOLBKDM4EALDH1A1

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-111269157-B Amisulpride impurity and preparation method thereof 南京海纳医药科技股份有限公司 2021-12-03 CN disclosed
CN-111269157-A Amisulpride impurity and preparation method thereof 南京海纳医药科技股份有限公司 2020-06-12 CN disclosed