SCHEMBL30453097

SCHEMBL30453097

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OCc1c(F)cccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.62
CD274 Q9NZQ7 9/20 0.53
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HPGDS O60760 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
SCHEMBL488192 1.00 MET (0.62) METCD274HPGDLMNARAB9A
SCHEMBL488212 0.95 MET (0.60) METCD274LMNARAB9A
SCHEMBL30454062 0.95 MET (0.60) METCD274LMNARAB9A
SCHEMBL488567 0.91 MET (0.61) METCD274HPGDHPGDS
SCHEMBL30454986 0.91 MET (0.61) METCD274HPGDHPGDS
SCHEMBL487776 0.87 MET (0.56) METCD274HPGDHPGDS
SCHEMBL30452829 0.87 MET (0.56) METCD274HPGDHPGDS
SCHEMBL30452926 0.86 MET (0.56) METCD274
SCHEMBL487849 0.86 MET (0.56) METCD274
SCHEMBL488424 0.86 CD274 (0.58) METCD274HPGD

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