SCHEMBL30453565

SCHEMBL30453565

Nc1ncc(-c2cccc(C(=O)O)c2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.67
MAP4K4 O95819 5/20 0.57
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LDHA P00338 1/20 0.47
LDHB P07195 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
PLAU P00749 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
SCHEMBL487900 1.00 MET (0.67) METMAP4K4IKBKETBK1MEN1
SCHEMBL30453780 0.90 MET (0.76) METMAP4K4HPGD
SCHEMBL487674 0.90 MET (0.76) METMAP4K4HPGD
SCHEMBL30453459 0.86 MAP4K4 (0.54) METMAP4K4IKBKETBK1LDHA
SCHEMBL488121 0.86 MAP4K4 (0.54) METMAP4K4IKBKETBK1LDHA
SCHEMBL488515 0.86 MET (0.62) METMAP4K4MEN1NPC1MITF
SCHEMBL487907 0.85 MET (0.81) METMAP4K4
SCHEMBL30454723 0.84 MET (0.79) METMAP4K4
SCHEMBL487730 0.84 MET (0.79) METMAP4K4
Water SCHEMBL28121971 0.84 MET (0.79) METMAP4K4

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