SCHEMBL30452575

SCHEMBL30452575

Nc1ncc(-c2ccccc2O)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.72
USP7 Q93009 2/20 0.50
MAP4K4 O95819 2/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MPO P05164 1/20 0.40
MAP4K3 Q8IVH8 2/20 0.40
FYN P06241 2/20 0.40
JAK2 O60674 1/20 0.40
CHRNA7 P36544 1/20 0.39
CSF1R P07333 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL487522 1.00 MET (0.72) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL27650092 0.95 MET (0.69) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL27650091 0.89 MET (0.82) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL6361398 0.86 MET (0.69) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL487729 0.85 MET (0.65) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL30453367 0.85 MET (0.65) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL488125 0.84 MET (0.63) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL30453937 0.84 MET (0.63) METUSP7MAP4K4PTGER1PTGER4
SCHEMBL487830 0.84 MET (1.00) METUSP7MAP4K4MPOMAP4K3
SCHEMBL30453987 0.84 MET (1.00) METUSP7MAP4K4MPOMAP4K3

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