SCHEMBL30454062

SCHEMBL30454062

Nc1ncc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.60
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CD274 Q9NZQ7 6/20 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
SCHEMBL488212 1.00 MET (0.60) METNPBWR1MCHR1LMNARAB9A
SCHEMBL30453097 0.95 MET (0.62) METLMNARAB9ACD274
SCHEMBL488192 0.95 MET (0.62) METLMNARAB9ACD274
SCHEMBL30452926 0.91 MET (0.56) METCD274
SCHEMBL487849 0.91 MET (0.56) METCD274
SCHEMBL488059 0.88 MET (0.55) METALDH1A1CD274
SCHEMBL30454410 0.88 MET (0.55) METALDH1A1CD274
SCHEMBL488530 0.86 CD274 (0.52) METCD274
SCHEMBL30454018 0.86 CD274 (0.52) METCD274
SCHEMBL30454986 0.86 MET (0.61) METALDH1A1CD274

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