SCHEMBL7017646

SCHEMBL7017646

Cn1c(=O)n(C[C@@H](S)CS)c(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.53
FEN1 P39748 1/20 0.53
ERCC4 Q92889 1/20 0.53
AGER Q15109 1/20 0.48
TNF P01375 1/20 0.47
PGR P06401 2/20 0.47
SLC9A1 P19634 1/20 0.46
NPEPPS P55786 1/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK8 P45983 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
SCHEMBL7021035 0.87 TNF (0.49) ERCC1FEN1ERCC4AGERTNF
SCHEMBL6803416 0.78 TNF (0.60) ERCC1FEN1ERCC4AGERTNF
SCHEMBL14692438 0.77 AGER (0.62) ERCC1FEN1ERCC4AGERTNF
SCHEMBL6363131 0.77 MAPK8 (0.64) ERCC1FEN1ERCC4AGERTNF
SCHEMBL11884498 0.75 ERCC1 (0.62) ERCC1FEN1ERCC4AGERTNF
SCHEMBL5039317 0.75 ERCC1 (0.57) ERCC1FEN1ERCC4AGERTNF
SCHEMBL7015507 0.75 ADORA2B (0.39) ERCC1FEN1ERCC4HDAC1
SCHEMBL7020396 0.75 GAA (0.44) FEN1SMN1; SMN2TDP1L3MBTL1
SCHEMBL7015510 0.75 ADORA2B (0.39) ERCC1FEN1ERCC4HDAC1
SCHEMBL7020394 0.75 GAA (0.44) FEN1SMN1; SMN2TDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO claimed
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 claimed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
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