SCHEMBL30454041

SCHEMBL30454041

Nc1ncc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.57
CD274 Q9NZQ7 10/20 0.55
HPGD P15428 1/20 0.53
HPGDS O60760 2/20 0.50
PDE4B Q07343 1/20 0.46
MAP4K3 Q8IVH8 1/20 0.46

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
SCHEMBL487702 1.00 MET (0.57) METCD274HPGDHPGDSPDE4B
SCHEMBL30453951 0.95 MET (0.56) METCD274HPGDHPGDSMAP4K3
SCHEMBL488455 0.95 MET (0.56) METCD274HPGDHPGDSMAP4K3
SCHEMBL5482536 0.89 CD274 (0.53) METCD274HPGDHPGDSPDE4B
SCHEMBL30452829 0.88 MET (0.56) METCD274HPGDHPGDS
SCHEMBL487776 0.88 MET (0.56) METCD274HPGDHPGDS
SCHEMBL487760 0.87 MET (0.58) METCD274HPGDHPGDS
SCHEMBL488424 0.83 CD274 (0.58) METCD274HPGD
SCHEMBL30453287 0.83 CD274 (0.58) METCD274HPGD
SCHEMBL30454410 0.83 MET (0.55) 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