SCHEMBL30453592

SCHEMBL30453592

Nc1ncc(-c2cccc(C(=O)O)c2)nc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.48
LDHB P07195 5/20 0.48
ATR Q13535 6/20 0.46
MAP4K4 O95819 2/20 0.46
CSF1R P07333 2/20 0.45
MET P08581 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL487989 1.00 LDHA (0.48) LDHALDHBATRMAP4K4CSF1R
SCHEMBL5487386 0.92 ATR (0.47) LDHALDHBATRCSF1RMET
SCHEMBL30454721 0.89 CSF1R (0.45) LDHALDHBATRMAP4K4CSF1R
SCHEMBL488449 0.89 CSF1R (0.45) LDHALDHBATRMAP4K4CSF1R
SCHEMBL5487393 0.86 CSF1R (0.48) ATRMAP4K4CSF1RMET
SCHEMBL488822 0.84 ATR (0.53) ATRCSF1RMET
SCHEMBL30452937 0.84 ATR (0.53) ATRCSF1RMET
SCHEMBL488121 0.83 MAP4K4 (0.54) LDHALDHBMAP4K4METMRGPRX4
SCHEMBL30453459 0.83 MAP4K4 (0.54) LDHALDHBMAP4K4METMRGPRX4
SCHEMBL5484072 0.82 CSF1R (0.45) ATRMAP4K4CSF1RMET

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