SCHEMBL30453484

SCHEMBL30453484

CC(Oc1nc(-c2cccc(C(=O)O)c2)cnc1N)c1c(F)ccc(F)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHB P07195 5/20 0.53
LDHA P00338 4/20 0.53
MET P08581 10/20 0.51
MAP4K3 Q8IVH8 1/20 0.48
ATR Q13535 1/20 0.44
MAP4K4 O95819 1/20 0.44
JAK2 O60674 1/20 0.44
CHEK2 O96017 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL488504 1.00 LDHB (0.53) LDHBLDHAMETMAP4K3ATR
SCHEMBL30453109 0.94 MET (0.58) LDHBLDHAMETMAP4K3JAK2
SCHEMBL488216 0.94 MET (0.58) LDHBLDHAMETMAP4K3JAK2
SCHEMBL30452752 0.89 MET (0.51) LDHBLDHAMETMAP4K3ATR
SCHEMBL488687 0.89 MET (0.51) LDHBLDHAMETMAP4K3ATR
SCHEMBL488599 0.87 LDHB (0.55) LDHBLDHAMETMAP4K3ATR
SCHEMBL30452677 0.87 LDHB (0.55) LDHBLDHAMETMAP4K3ATR
SCHEMBL488268 0.85 MET (0.57) METMAP4K3ATRALK
SCHEMBL30454341 0.85 MET (0.57) METMAP4K3ATRALK
SCHEMBL27629986 0.85 LDHA (0.47) LDHBLDHAMETMAP4K3ATR

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