SCHEMBL30453036

SCHEMBL30453036

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MET P08581 7/20 0.48
LMNA P02545 1/20 0.47
ALK Q9UM73 2/20 0.44
EPHX2 P34913 4/20 0.44
EGFR P00533 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
PDGFRB P09619 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL488395 1.00 CNR1 (0.49) CNR1SMN1; SMN2METLMNAALK
SCHEMBL488697 0.94 MET (0.55) CNR1METEPHX2MAP4K3
SCHEMBL30453380 0.94 MET (0.55) CNR1METEPHX2MAP4K3
SCHEMBL488600 0.90 MET (0.59) METALK
SCHEMBL30454107 0.90 MET (0.59) METALK
SCHEMBL10216403 0.89 MET (0.48) METALKEPHX2MAP4K3PIK3CA
SCHEMBL30452704 0.86 MET (0.45) METMAP4K3PIK3CDPIK3CAPIK3CG
SCHEMBL488978 0.86 MET (0.45) METMAP4K3PIK3CDPIK3CAPIK3CG
SCHEMBL488328 0.86 MET (0.65) CNR1SMN1; SMN2METLMNAALK
SCHEMBL30452822 0.86 MET (0.65) CNR1SMN1; SMN2METLMNAALK

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