SCHEMBL28229441

SCHEMBL28229441

COC(=O)C(C)Nc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL28223708 0.86 CA12 (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5116189 0.82 IDO1 (0.49) KMT2AMEN1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5116185 0.82 IDO1 (0.49) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL5323369 0.81 HPGD (0.49) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL5323373 0.81 HPGD (0.49) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL19975181 0.81 ALDH1A1 (0.58) KMT2AMEN1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL16059705 0.79 MEN1 (0.66) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL11136947 0.79 ALDH1A1 (0.48) KMT2AMEN1HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16060620 0.79 MEN1 (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL8153691 0.79 ALDH1A1 (0.52) KMT2AMEN1HPGDKDM4EALDH1A1

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-108250141-A Methyl-P-tyrosine modifies N-(8- quinolyls)Acetamide compound, synthetic method and application 华南师范大学 2018-07-06 CN claimed