SCHEMBL7020396

SCHEMBL7020396

Cn1c(=O)n(C[C@@H](S)CS)c(=O)c2sccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.40
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL7020394 1.00 GAA (0.44) GAAKMT2AEGLN1NPC1ATM
SCHEMBL7014448 0.88 GAA (0.43) GAAKMT2AEGLN1NPC1ATM
SCHEMBL7014450 0.88 GAA (0.43) GAAKMT2AEGLN1NPC1ATM
SCHEMBL7015507 0.78 ADORA2B (0.39) GAAERCC5FEN1
SCHEMBL7015510 0.78 ADORA2B (0.39) GAAERCC5FEN1
SCHEMBL7017646 0.75 ERCC1 (0.53) L3MBTL1TDP1FEN1SMN1; SMN2
SCHEMBL7015338 0.75 GAA (0.43) GAAKMT2AEGLN1NPC1ATM
SCHEMBL7015341 0.75 GAA (0.43) GAAKMT2AEGLN1NPC1ATM
SCHEMBL7106149 0.74 GAA (0.43) GAAKMT2AEGLN1NPC1ATM
SCHEMBL6295499 0.73 GAA (0.59) GAAKMT2AEGLN1NPC1ATM

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
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed