SCHEMBL30453420

SCHEMBL30453420

Nc1ncc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.55
KLK7 P49862 1/20 0.50
F10 P00742 1/20 0.49
CD274 Q9NZQ7 5/20 0.49
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL488220 1.00 MET (0.55) METKLK7F10CD274ALDH1A1
SCHEMBL487659 0.95 MET (0.56) METF10CD274ALDH1A1HTR1A
SCHEMBL30452636 0.95 MET (0.56) METF10CD274ALDH1A1HTR1A
SCHEMBL30454018 0.93 CD274 (0.52) METCD274
SCHEMBL488530 0.93 CD274 (0.52) METCD274
SCHEMBL488059 0.91 MET (0.55) METCD274ALDH1A1SMN1; SMN2
SCHEMBL30454410 0.91 MET (0.55) METCD274ALDH1A1SMN1; SMN2
SCHEMBL30453287 0.88 CD274 (0.58) METCD274ALDH1A1HTR1AMAOA
SCHEMBL488424 0.88 CD274 (0.58) METCD274ALDH1A1HTR1AMAOA
SCHEMBL30452829 0.86 MET (0.56) METCD274ALDH1A1HTR1AMAOA

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