Edaravone

Edaravone

SCHEMBL29109888

CC1=NN(c2ccccc2)C(=O)C1.c1ccc2ccccc2c1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.90
MAPT P10636 6/20 0.90
MEN1 O00255 6/20 0.90
ALDH1A1 P00352 4/20 0.90
KDM4E B2RXH2 3/20 0.90
TDP1 Q9NUW8 3/20 0.90
GAA P10253 3/20 0.90
CYP1A2 P05177 1/20 0.90
CHRM2 P08172 1/20 0.90
CYP3A4 P08684 1/20 0.90
CHRM1 P11229 1/20 0.90
TSHR P16473 1/20 0.90
PTGS1 P23219 1/20 0.90
DRD3 P35462 1/20 0.90
SMN1; SMN2 Q16637 1/20 0.90
APP P05067 8/20 0.73
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 2/20 0.61
SHMT2 P34897 1/20 0.57

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
Edaravone SCHEMBL27972444 0.95 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL4704 0.95 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL28220108 0.93 KMT2A (0.96) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL27849395 0.93 KMT2A (0.96) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL27946869 0.93 KMT2A (0.96) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL12477822 0.87 KMT2A (0.84) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL29779990 0.85 MAPT (0.66) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL8083298 0.83 MAPT (0.77) KMT2AMAPTMEN1ALDH1A1KDM4E
Edaravone SCHEMBL13292340 0.83 KMT2A (0.77) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL12756285 0.82 MAPT (0.81) KMT2AMAPTMEN1ALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465597-A Edaravone salt 萃微TW001公司 2020-07-28 CN claimed
CN-111465597-B Edaravone Salt 萃微TW001公司 2023-08-25 CN disclosed
CN-111465597-B Edaravone Salt 萃微TW001公司 2023-08-25 CN disclosed
CN-111465597-A Edaravone salt 萃微TW001公司 2020-07-28 CN disclosed
CN-111465597-A Edaravone salt 萃微TW001公司 2020-07-28 CN disclosed