SCHEMBL30453390

SCHEMBL30453390

CC(Oc1cc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cnc1N)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.54
CD274 Q9NZQ7 8/20 0.46
ALDH1A1 P00352 2/20 0.44
NEK2 P51955 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALK Q9UM73 1/20 0.43
WDR5 P61964 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL488486 1.00 MET (0.54) METCD274ALDH1A1NEK2CYP2D6
SCHEMBL30452884 0.96 MET (0.59) METCD274NEK2ALK
SCHEMBL488139 0.96 MET (0.59) METCD274NEK2ALK
SCHEMBL30453107 0.94 MET (0.62) METNEK2
SCHEMBL488608 0.94 MET (0.62) METNEK2
SCHEMBL30452449 0.89 MET (0.68) METCD274NEK2
SCHEMBL488550 0.89 MET (0.68) METCD274NEK2
SCHEMBL10216455 0.82 MET (0.80) METALK
SCHEMBL5482536 0.81 CD274 (0.53) METCD274
SCHEMBL488715 0.81 MET (0.48) MET

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