SCHEMBL7021046

SCHEMBL7021046

Cc1cccc2nc3n(c(=O)c12)C[C@H](CS)S3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
ELANE P08246 11/20 0.37
PARP1 P09874 1/20 0.37
PARP14 Q460N5 1/20 0.35
CASR P41180 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6804689 0.81 ALDH1A1 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7016849 0.80 PDE7A (0.39) ELANEPARP1PARP14CASRHRH3
SCHEMBL7016000 0.74 PDE7A (0.40) ALDH1A1
SCHEMBL7016857 0.71 MAPK1 (0.41) KDM4EALDH1A1GAA
SCHEMBL7011912 0.66 ELANE (0.46) PIK3CDELANEPARP1CASRHRH3
SCHEMBL1161604 0.66 PIK3CD (0.50) PIK3CDELANEPARP1CASRHRH3
SCHEMBL7014708 0.66 ELANE (0.49) PIK3CDELANEPARP1CASRHRH3
SCHEMBL7013206 0.64 SMN1; SMN2 (0.49) PIK3CDELANEPARP1CASR
SCHEMBL16596954 0.63 GAA (0.56) PIK3CDELANEPARP1HRH3KCNH2
SCHEMBL7016775 0.63 ELANE (0.46) PIK3CDELANEPARP1CASRKDM4E

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