SCHEMBL30452691

SCHEMBL30452691

N#Cc1ccccc1COc1cc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.57
CD274 Q9NZQ7 7/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGLN1 Q9GZT9 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HPGDS O60760 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
SCHEMBL487968 1.00 MET (0.57) METCD274MKNK1MKNK2HPGD
SCHEMBL487760 0.95 MET (0.58) METCD274HPGDHPGDS
SCHEMBL488059 0.89 MET (0.55) METCD274HPGDKDM4EALDH1A1
SCHEMBL30454410 0.89 MET (0.55) METCD274HPGDKDM4EALDH1A1
SCHEMBL30453951 0.87 MET (0.56) METCD274HPGDKDM4EALDH1A1
SCHEMBL488455 0.87 MET (0.56) METCD274HPGDKDM4EALDH1A1
SCHEMBL30452829 0.84 MET (0.56) METCD274HPGDALDH1A1HPGDS
SCHEMBL487776 0.84 MET (0.56) METCD274HPGDALDH1A1HPGDS
SCHEMBL488220 0.84 MET (0.55) METCD274ALDH1A1SMN1; SMN2
SCHEMBL30453420 0.84 MET (0.55) METCD274ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed