SCHEMBL30454350

SCHEMBL30454350

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.65
MET P08581 3/20 0.61
NR4A2 P43354 2/20 0.59
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.50
INPPL1 O15357 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48

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
SCHEMBL487663 1.00 MAP4K4 (0.65) MAP4K4METNR4A2NR4A1NR4A3
SCHEMBL30452968 0.90 MAP4K4 (0.64) MAP4K4METNR4A2
SCHEMBL487734 0.90 MAP4K4 (0.64) MAP4K4METNR4A2
SCHEMBL30454971 0.88 MAP4K4 (0.73) MAP4K4METNR4A2HDAC8
SCHEMBL487832 0.88 MAP4K4 (0.73) MAP4K4METNR4A2HDAC8
SCHEMBL487769 0.87 MET (0.66) MAP4K4METINPPL1
SCHEMBL30453337 0.87 MET (0.66) MAP4K4METINPPL1
SCHEMBL30453352 0.82 MET (0.64) MAP4K4MET
SCHEMBL487655 0.82 MET (0.64) MAP4K4MET
SCHEMBL30453900 0.82 MET (0.64) MAP4K4MET

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