SCHEMBL30453780

SCHEMBL30453780

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.76
MAP4K4 O95819 12/20 0.71
HPGD P15428 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 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
SCHEMBL487674 1.00 MET (0.76) METMAP4K4HPGDRXRARXRB
SCHEMBL30454009 0.92 MET (0.65) METMAP4K4
SCHEMBL487893 0.92 MET (0.65) METMAP4K4
SCHEMBL30453565 0.90 MET (0.67) METMAP4K4HPGD
SCHEMBL487900 0.90 MET (0.67) METMAP4K4HPGD
SCHEMBL30454971 0.87 MAP4K4 (0.73) METMAP4K4
SCHEMBL487832 0.87 MAP4K4 (0.73) METMAP4K4
SCHEMBL488515 0.87 MET (0.62) METMAP4K4HPGDRXRARXRB
SCHEMBL487830 0.87 MET (1.00) METMAP4K4
SCHEMBL30453987 0.87 MET (1.00) 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