SCHEMBL30452636

SCHEMBL30452636

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.56
CD274 Q9NZQ7 11/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KCNH2 Q12809 1/20 0.54
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.49
F10 P00742 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
SCHEMBL487659 1.00 MET (0.56) METCD274ALDH1A1HTR1AMAOA
SCHEMBL488220 0.95 MET (0.55) METCD274ALDH1A1HTR1AMAOA
SCHEMBL30453420 0.95 MET (0.55) METCD274ALDH1A1HTR1AMAOA
SCHEMBL30453287 0.93 CD274 (0.58) METCD274ALDH1A1HTR1AMAOA
SCHEMBL488424 0.93 CD274 (0.58) METCD274ALDH1A1HTR1AMAOA
SCHEMBL30452829 0.91 MET (0.56) METCD274ALDH1A1HTR1AMAOA
SCHEMBL487776 0.91 MET (0.56) METCD274ALDH1A1HTR1AMAOA
SCHEMBL488530 0.88 CD274 (0.52) METCD274
SCHEMBL30454018 0.88 CD274 (0.52) METCD274
SCHEMBL30454410 0.86 MET (0.55) METCD274ALDH1A1HPGDSMN1; 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