SCHEMBL30453096

SCHEMBL30453096

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1ccc(C(N)=O)c(CCCN2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.54
MERTK Q12866 8/20 0.43
AXL P30530 6/20 0.42
ATR Q13535 1/20 0.37
ALK Q9UM73 1/20 0.37
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL488368 1.00 MET (0.54) METMERTKAXLATRALK
SCHEMBL488369 0.85 MET (0.55) METMERTKAXLATRBMPR1B
SCHEMBL30452853 0.84 MET (0.61) METMERTKAXLATR
SCHEMBL488874 0.84 MET (0.61) METMERTKAXLATR
SCHEMBL30453810 0.84 MET (0.55) METMERTKAXLATRL3MBTL3
SCHEMBL487976 0.84 MET (0.55) METMERTKAXLATRL3MBTL3
SCHEMBL5255609 0.78 MET (0.70) METMERTKAXLATRL3MBTL3
SCHEMBL488661 0.78 MET (0.65) METMERTKAXLATRL3MBTL3
SCHEMBL30453983 0.78 MET (0.65) METMERTKAXLATRL3MBTL3
SCHEMBL30453313 0.77 MET (0.56) METMERTKAXLATRL3MBTL3

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