SCHEMBL30453475

SCHEMBL30453475

Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.69
MET P08581 3/20 0.62
MAP4K3 Q8IVH8 1/20 0.54
EPHX2 P34913 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL488215 1.00 MAP4K4 (0.69) MAP4K4METMAP4K3EPHX2RXRA
SCHEMBL30454707 0.88 MAP4K3 (0.58) MAP4K4METMAP4K3MAOB
SCHEMBL487859 0.88 MAP4K3 (0.58) MAP4K4METMAP4K3MAOB
SCHEMBL30454601 0.85 MAP4K4 (0.62) MAP4K4MET
SCHEMBL487894 0.85 MAP4K4 (0.62) MAP4K4MET
SCHEMBL30453136 0.84 MAP4K3 (0.55) MAP4K4METMAP4K3MAOB
SCHEMBL487832 0.84 MAP4K4 (0.73) MAP4K4METMAP4K3
SCHEMBL30454971 0.84 MAP4K4 (0.73) MAP4K4METMAP4K3
SCHEMBL488532 0.83 MET (0.65) MAP4K4METMAP4K3MAOBMAOA
SCHEMBL30453327 0.83 MET (0.65) MAP4K4METMAP4K3MAOBMAOA

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