SCHEMBL30453983

SCHEMBL30453983

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.65
L3MBTL3 Q96JM7 4/20 0.51
MERTK Q12866 4/20 0.50
AXL P30530 3/20 0.50
ATR Q13535 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MAP4K4 O95819 1/20 0.44
JAK2 O60674 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43

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
SCHEMBL488661 1.00 MET (0.65) METL3MBTL3MERTKAXLATR
SCHEMBL5255609 0.93 MET (0.70) METL3MBTL3MERTKAXLATR
SCHEMBL30453513 0.85 MET (0.81) METL3MBTL3MERTKAXLATR
SCHEMBL487881 0.85 MET (0.81) METL3MBTL3MERTKAXLATR
SCHEMBL5258519 0.85 MET (0.61) METL3MBTL3MERTKAXLATR
SCHEMBL5930593 0.84 MET (0.55) METL3MBTL3MERTKAXLATR
SCHEMBL30454926 0.83 MET (0.73) METL3MBTL3MERTKAXLATR
SCHEMBL488099 0.83 MET (0.73) METL3MBTL3MERTKAXLATR
SCHEMBL19610827 0.83 MERTK (0.59) METL3MBTL3MERTKAXLATR
SCHEMBL10216184 0.82 MET (0.79) METL3MBTL3MERTKAXLATR

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