SCHEMBL28499652

SCHEMBL28499652

C=CCc1nc2ccccc2n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
FGFR1 P11362 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46

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
SCHEMBL3975423 0.81 KDM4E (0.69) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3976218 0.80 HDAC6 (0.62) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8861233 0.80 HDAC6 (0.62) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1161248 0.80 HDAC6 (0.62) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6837735 0.77 KDM4E (0.69) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28490940 0.77 HDAC6 (0.63) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11331858 0.76 HDAC6 (0.58) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28506236 0.75 HDAC6 (0.64) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28669206 0.75 HDAC6 (0.60) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13381831 0.75 HDAC6 (0.68) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892545-B Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2021-11-05 CN claimed
CN-111892545-A Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2020-11-06 CN claimed
CN-111892545-B Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2021-11-05 CN disclosed
CN-111892545-B Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2021-11-05 CN disclosed
CN-111892545-B Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2021-11-05 CN disclosed
CN-111892545-A Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2020-11-06 CN disclosed
CN-111892545-A Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2020-11-06 CN disclosed
CN-111892545-A Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2020-11-06 CN disclosed