SCHEMBL30452822

SCHEMBL30452822

CC(Oc1cc(-c2ccc(NC(=O)NCCN3CCOCC3)cc2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.65
ALK Q9UM73 6/20 0.58
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
JAK2 O60674 1/20 0.48
AXL P30530 1/20 0.47
LMNA P02545 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
SCHEMBL488328 1.00 MET (0.65) METALKCNR1SMN1; SMN2JAK2
SCHEMBL488354 0.96 MET (0.71) METALKJAK2AXL
SCHEMBL30452863 0.96 MET (0.71) METALKJAK2AXL
SCHEMBL487919 0.93 MET (0.74) METALKCNR1JAK2AXL
SCHEMBL30452751 0.93 MET (0.74) METALKCNR1JAK2AXL
SCHEMBL30452627 0.90 MET (0.80) METALKJAK2
SCHEMBL488578 0.90 MET (0.80) METALKJAK2
SCHEMBL30453991 0.89 MET (0.81) METALKJAK2AXL
SCHEMBL487939 0.89 MET (0.81) METALKJAK2AXL
SCHEMBL488395 0.86 CNR1 (0.49) METALKCNR1SMN1; SMN2LMNA

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