SCHEMBL30453020

SCHEMBL30453020

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.69
MERTK Q12866 2/20 0.50
ALK Q9UM73 1/20 0.50
AXL P30530 1/20 0.48
LRRK2 Q5S007 1/20 0.48
MBTD1 Q05BQ5 2/20 0.45
L3MBTL3 Q96JM7 2/20 0.45
ATR Q13535 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL488535 1.00 MET (0.69) METMERTKALKAXLLRRK2
SCHEMBL10217486 0.93 MET (0.64) METMERTKALKAXLLRRK2
SCHEMBL10218017 0.92 MET (0.58) METMERTKALKAXLLRRK2
SCHEMBL488391 0.91 MET (0.68) METMERTKAXLLRRK2L3MBTL3
SCHEMBL30453080 0.91 MET (0.68) METMERTKAXLLRRK2L3MBTL3
SCHEMBL10217502 0.89 MET (0.62) METMERTKALKAXLLRRK2
SCHEMBL10217480 0.88 MET (0.61) METMERTKALKAXLLRRK2
SCHEMBL10217475 0.87 MET (0.62) METMERTKAXLLRRK2MBTD1
SCHEMBL10217450 0.87 MET (0.55) METMERTKALKAXLLRRK2
SCHEMBL10217511 0.87 MET (0.61) METMERTKALKAXLMBTD1

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