SCHEMBL30454983

SCHEMBL30454983

N#Cc1ccccc1COc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.69
MERTK Q12866 3/20 0.49
AXL P30530 2/20 0.49
ATR Q13535 1/20 0.47
SLC6A4 P31645 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAP4K4 O95819 2/20 0.44
AVPR2 P30518 1/20 0.44
AVPR1A P37288 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL487781 1.00 MET (0.69) METMERTKAXLATRSLC6A4
SCHEMBL10217562 0.89 MET (0.56) METMERTKAXLATRMAP4K4
SCHEMBL30453080 0.88 MET (0.68) METMERTKAXLATRMAP4K4
SCHEMBL30453025 0.88 MET (0.56) METMERTKAXLATRMAP4K4
SCHEMBL30453219 0.88 MET (0.68) METMAP4K4
SCHEMBL488733 0.88 MET (0.56) METMERTKAXLATRMAP4K4
SCHEMBL488476 0.88 MET (0.68) METMAP4K4
SCHEMBL488391 0.88 MET (0.68) METMERTKAXLATRMAP4K4
SCHEMBL14631832 0.88 MET (0.68) METMAP4K4
SCHEMBL10217423 0.87 MET (0.54) METMERTKAXLATRMAP4K4

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