SCHEMBL30453835

SCHEMBL30453835

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.63
MET P08581 3/20 0.58
L3MBTL3 Q96JM7 10/20 0.52
L3MBTL1 Q9Y468 9/20 0.52
MBTD1 Q05BQ5 6/20 0.52
MERTK Q12866 2/20 0.52
TP53BP1 Q12888 2/20 0.50
L3MBTL4 Q8NA19 2/20 0.50
AXL P30530 1/20 0.50
ATR Q13535 1/20 0.49
MAP4K3 Q8IVH8 1/20 0.48
LRRK2 Q5S007 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL488553 1.00 MAP4K4 (0.63) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217969 0.84 MET (0.57) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL30452977 0.84 MET (0.66) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL488613 0.84 MET (0.66) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217467 0.84 MET (0.56) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10216178 0.84 MET (0.63) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217475 0.83 MET (0.62) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217559 0.83 MET (0.56) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217429 0.83 MET (0.60) MAP4K4METL3MBTL3L3MBTL1MBTD1
SCHEMBL10217502 0.83 MET (0.62) MAP4K4METL3MBTL3L3MBTL1MBTD1

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