SCHEMBL7013124

SCHEMBL7013124

Cc1cccc2[nH]c(=O)n(C[C@@H](S)CS)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
ADRA1B P35368 1/20 0.40
CYP1A2 P05177 2/20 0.38
FEN1 P39748 3/20 0.37
ERCC5 P28715 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2B P29275 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL7020968 0.79 DAO (0.41) DAOCYP1A2FEN1MEN1KMT2A
SCHEMBL7022854 0.78 CYP1A2 (0.59) CYP1A2FEN1ERCC5MEN1KMT2A
SCHEMBL14692143 0.75 ADRA1B (0.47) DAOADRA1BCYP1A2FEN1MEN1
SCHEMBL7022440 0.74 DAO (0.41) DAOADRA1BCYP1A2FEN1MEN1
SCHEMBL7022436 0.74 DAO (0.41) DAOADRA1BCYP1A2FEN1MEN1
SCHEMBL7020004 0.72 CYP1A2 (0.33) DAOCYP1A2MEN1KMT2ABRD4
SCHEMBL7020008 0.72 CYP1A2 (0.33) DAOCYP1A2MEN1KMT2ABRD4
SCHEMBL9523187 0.70 ADORA3 (0.56) DAOADRA1BCYP1A2FEN1ERCC5
SCHEMBL7017696 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7017699 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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