SCHEMBL30454806

SCHEMBL30454806

CC(Oc1nc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.66
ALK Q9UM73 2/20 0.51
CHEK2 O96017 1/20 0.50
MAP4K3 Q8IVH8 1/20 0.49
CD274 Q9NZQ7 6/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 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
SCHEMBL488802 1.00 MET (0.66) METALKCHEK2MAP4K3CD274
SCHEMBL30454107 0.96 MET (0.59) METALKCHEK2CD274HPGDS
SCHEMBL488600 0.96 MET (0.59) METALKCHEK2CD274HPGDS
SCHEMBL487974 0.92 MET (0.60) METALKCHEK2MAP4K3
SCHEMBL30452825 0.92 MET (0.60) METALKCHEK2MAP4K3
SCHEMBL30453551 0.92 MET (0.59) METALKMAP4K3CD274ALDH1A1
SCHEMBL488919 0.92 MET (0.59) METALKMAP4K3CD274ALDH1A1
SCHEMBL488251 0.92 MET (0.59) METALKMAP4K3
SCHEMBL30452830 0.92 MET (0.59) METALKMAP4K3
SCHEMBL488149 0.90 MET (0.60) METCHEK2CD274HPGDSALDH1A1

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