SCHEMBL30452762

SCHEMBL30452762

CC(C)(C)c1ccc(COc2cc(-c3ccc(O)cc3)cnc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.56
MAP4K4 O95819 1/20 0.55
FYN P06241 3/20 0.48
TGFBR1 P36897 1/20 0.48
USP7 Q93009 2/20 0.47
XDH P47989 2/20 0.47
CHEK2 O96017 1/20 0.45
MAP4K3 Q8IVH8 2/20 0.45
ALOX5AP P20292 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 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
SCHEMBL488223 1.00 MET (0.56) METMAP4K4FYNTGFBR1USP7
SCHEMBL30453341 0.87 MAP4K4 (0.75) METMAP4K4XDHRAB9AL3MBTL1
SCHEMBL488616 0.87 MAP4K4 (0.75) METMAP4K4XDHRAB9AL3MBTL1
SCHEMBL27650357 0.87 MET (0.51) METMAP4K4FYNXDHMAP4K3
SCHEMBL6416738 0.83 MAP4K4 (0.48) METMAP4K4FYNXDHMAP4K3
SCHEMBL30452754 0.83 MAP4K4 (0.76) METMAP4K4FYNTGFBR1USP7
SCHEMBL487854 0.83 MAP4K4 (0.76) METMAP4K4FYNTGFBR1USP7
SCHEMBL27650167 0.81 MET (0.59) METMAP4K4XDHMAP4K3ALOX5AP
SCHEMBL10381732 0.80 MET (0.44) METMAP4K4XDHMAP4K3RAB9A
SCHEMBL488365 0.80 MET (0.65) METMAP4K4TGFBR1RAB9A

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