SCHEMBL30453937

SCHEMBL30453937

COc1ccccc1-c1cnc(N)c(OCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.63
CHRNA7 P36544 1/20 0.53
FYN P06241 6/20 0.47
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
EPHB4 P54760 1/20 0.44
MAP4K4 O95819 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
USP7 Q93009 1/20 0.43
MAP4K3 Q8IVH8 2/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL488125 1.00 MET (0.63) METCHRNA7FYNPDGFRBPDGFRA
SCHEMBL487962 0.87 MET (0.62) METMAP4K4USP7MAP4K3PTGER1
SCHEMBL487821 0.86 MET (0.61) METCHRNA7FYNMAP4K4USP7
SCHEMBL30454267 0.85 MET (0.60) METCHRNA7USP7MAP4K3PTGER1
SCHEMBL487806 0.85 MET (0.60) METCHRNA7USP7MAP4K3PTGER1
SCHEMBL6361398 0.85 MET (0.69) METEPHB4MAP4K4USP7MAP4K3
SCHEMBL487522 0.84 MET (0.72) METCHRNA7FYNMAP4K4USP7
SCHEMBL487729 0.84 MET (0.65) METMAP4K4USP7MAP4K3PTGER1
SCHEMBL30453367 0.84 MET (0.65) METMAP4K4USP7MAP4K3PTGER1
SCHEMBL30452575 0.84 MET (0.72) METCHRNA7FYNMAP4K4USP7

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