SCHEMBL30453319

SCHEMBL30453319

CS(=O)(=O)Nc1ccc(-c2cnc(N)c(OCc3ccccc3C(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.53
ATR Q13535 2/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
FDPS P14324 1/20 0.43
CSF1R P07333 1/20 0.43
FYN P06241 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
FOLH1 Q04609 1/20 0.43
USP7 Q93009 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MET P08581 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40

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
SCHEMBL488201 1.00 MAP4K4 (0.53) MAP4K4ATRIKBKBCHUKFDPS
SCHEMBL30452760 0.92 IKBKB (0.48) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL488270 0.92 IKBKB (0.48) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL30453208 0.87 FYN (0.43) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL488183 0.87 FYN (0.43) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL30453701 0.86 MAP4K4 (0.43) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL487694 0.86 MAP4K4 (0.43) MAP4K4ATRIKBKBCHUKCSF1R
SCHEMBL487724 0.85 KCNH2 (0.45) MAP4K4TGFBR1ACVR1METAXL
SCHEMBL487629 0.82 MET (0.51) MAP4K4ATRIKBKBCHUKFYN
SCHEMBL487646 0.78 MET (0.67) MAP4K4FYNTGFBR1ACVR1USP7

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