SCHEMBL30452960

SCHEMBL30452960

Nc1ncc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)cc1OCc1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.65
MAP4K3 Q8IVH8 1/20 0.51
MAP4K4 O95819 3/20 0.48
KCNH2 Q12809 1/20 0.45

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
SCHEMBL488185 1.00 MET (0.65) METMAP4K3MAP4K4KCNH2
SCHEMBL14631924 0.90 MET (0.66) METMAP4K3MAP4K4KCNH2
SCHEMBL30453547 0.90 MET (0.66) METMAP4K3MAP4K4KCNH2
SCHEMBL488202 0.90 MET (0.66) METMAP4K3MAP4K4KCNH2
SCHEMBL30453454 0.90 MET (0.56) METMAP4K3MAP4K4KCNH2
SCHEMBL488399 0.90 MET (0.56) METMAP4K3MAP4K4KCNH2
SCHEMBL30454310 0.88 MET (0.62) METMAP4K3MAP4K4
SCHEMBL487914 0.88 MET (0.62) METMAP4K3MAP4K4
SCHEMBL488476 0.88 MET (0.68) METMAP4K4KCNH2
SCHEMBL30453219 0.88 MET (0.68) METMAP4K4KCNH2

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