SCHEMBL30452977

SCHEMBL30452977

Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.66
MAP4K4 O95819 2/20 0.62
MERTK Q12866 4/20 0.57
AXL P30530 3/20 0.57
AVPR2 P30518 1/20 0.56
AVPR1A P37288 1/20 0.56
ATR Q13535 1/20 0.54
L3MBTL3 Q96JM7 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MBTD1 Q05BQ5 2/20 0.50
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49

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
SCHEMBL488613 1.00 MET (0.66) METMAP4K4MERTKAXLAVPR2
SCHEMBL10216178 0.97 MET (0.63) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217468 0.96 MET (0.62) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217711 0.95 MET (0.60) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217566 0.93 MET (0.61) METMAP4K4MERTKAXLAVPR2
SCHEMBL19610827 0.92 MERTK (0.59) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217467 0.92 MET (0.56) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217479 0.92 MET (0.59) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217780 0.91 MET (0.58) METMAP4K4MERTKAXLAVPR2
SCHEMBL10217502 0.91 MET (0.62) METMAP4K4MERTKAXLAVPR2

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