SCHEMBL30453313

SCHEMBL30453313

CC(Oc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1ccc(C(N)=O)c(C2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.56
MERTK Q12866 5/20 0.45
AXL P30530 4/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MBTD1 Q05BQ5 2/20 0.44
ATR Q13535 1/20 0.41
TP53BP1 Q12888 1/20 0.40
NEK2 P51955 1/20 0.39

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
SCHEMBL488311 1.00 MET (0.56) METMERTKAXLKDM4EALDH1A1
SCHEMBL488312 0.85 MET (0.58) METMERTKAXLKDM4EALDH1A1
SCHEMBL5255609 0.83 MET (0.70) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL30453810 0.81 MET (0.55) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL487976 0.81 MET (0.55) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL488874 0.81 MET (0.61) METMERTKAXLATR
SCHEMBL30452853 0.81 MET (0.61) METMERTKAXLATR
SCHEMBL488661 0.79 MET (0.65) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL30453983 0.79 MET (0.65) METMERTKAXLL3MBTL3L3MBTL1
SCHEMBL10217566 0.78 MET (0.61) METMERTKAXLKDM4EALDH1A1

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