SCHEMBL30453459

SCHEMBL30453459

Nc1ncc(-c2cccc(C(=O)O)c2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.54
MET P08581 6/20 0.53
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
JAK2 O60674 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PTGER1 P34995 5/20 0.44
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
CYP2C9 P11712 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL488121 1.00 MAP4K4 (0.54) MAP4K4METIKBKETBK1JAK2
SCHEMBL5480970 0.92 MET (0.53) MAP4K4METJAK2MAP4K3
SCHEMBL30453201 0.89 MAP4K4 (0.64) MAP4K4METJAK2MAP4K3
SCHEMBL487982 0.89 MAP4K4 (0.64) MAP4K4METJAK2MAP4K3
SCHEMBL30453565 0.86 MET (0.67) MAP4K4METIKBKETBK1MRGPRX4
SCHEMBL487900 0.86 MET (0.67) MAP4K4METIKBKETBK1MRGPRX4
SCHEMBL487679 0.86 MET (0.57) MAP4K4METJAK2MAP4K3
SCHEMBL5480975 0.85 MET (0.53) MAP4K4METJAK2MAP4K3
SCHEMBL30453694 0.84 MET (0.54) MAP4K4MET
SCHEMBL487934 0.84 MET (0.54) 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