SCHEMBL7107546

SCHEMBL7107546

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.48
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
SLC9A1 P19634 1/20 0.44
PGR P06401 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC1 Q13547 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPEPPS P55786 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
AGER Q15109 1/20 0.40
CNR2 P34972 1/20 0.39
MAPK8 P45983 1/20 0.39
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7023021 0.88 ERCC1 (0.48) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL6803416 0.79 TNF (0.60) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL7101330 0.76 ADORA2B (0.40) ERCC1FEN1ERCC4HDAC1
SCHEMBL7106149 0.76 GAA (0.43) THRB
SCHEMBL14692425 0.75 ERCC1 (0.56) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL6510771 0.75 ERCC1 (0.60) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL7852147 0.75 ERCC1 (0.56) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL6363131 0.75 MAPK8 (0.64) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL7021035 0.74 TNF (0.49) TNFERCC1FEN1ERCC4SLC9A1
SCHEMBL25936308 0.74 TOP2A (0.58) TNFERCC1FEN1ERCC4SLC9A1

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 2 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 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