SCHEMBL30453080

SCHEMBL30453080

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.68
MAP4K3 Q8IVH8 1/20 0.51
MERTK Q12866 2/20 0.51
AXL P30530 1/20 0.51
ATR Q13535 1/20 0.49
LRRK2 Q5S007 1/20 0.48
MAP4K4 O95819 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46

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
SCHEMBL488391 1.00 MET (0.68) METMAP4K3MERTKAXLATR
SCHEMBL10217480 0.93 MET (0.61) METMERTKAXLATRLRRK2
SCHEMBL10217505 0.92 MET (0.61) METMERTKAXLATRLRRK2
SCHEMBL30453020 0.91 MET (0.69) METMERTKAXLATRLRRK2
SCHEMBL488535 0.91 MET (0.69) METMERTKAXLATRLRRK2
SCHEMBL10217486 0.91 MET (0.64) METMERTKAXLATRLRRK2
SCHEMBL487790 0.91 MET (0.68) METMERTKAXLATRLRRK2
SCHEMBL488733 0.90 MET (0.56) METMERTKAXLATRMAP4K4
SCHEMBL30453025 0.90 MET (0.56) METMERTKAXLATRMAP4K4
SCHEMBL10217423 0.89 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