SCHEMBL7023017

SCHEMBL7023017

COc1cc2[nH]c(=O)n(C[C@@H](S)CS)c(=O)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 11/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 6/20 0.50
HSD17B10 Q99714 7/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
MPO P05164 1/20 0.45
XDH P47989 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL8987607 0.87 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8987638 0.81 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL8987687 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7019787 0.75 CA9 (0.56) KDM4EHPGDKMT2AMPOXDH
SCHEMBL7016344 0.75 CA12 (0.56) ALDH1A1POLBKMT2AMPOXDH
SCHEMBL7022854 0.74 CYP1A2 (0.59) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9298894 0.74 ALDH1A1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17241565 0.72 KDM4E (0.81) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7016335 0.70 ADORA3 (0.37) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7016331 0.70 ADORA3 (0.37) KDM4EALDH1A1HPGDHSD17B10

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