SCHEMBL7016331

SCHEMBL7016331

Cn1cc2c(=O)n(CC(S)CS)c(=O)[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.37
PDE4A P27815 3/20 0.32
ADORA2A P29274 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
ADORA2B P29275 3/20 0.32
TBXAS1 P24557 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7016335 1.00 ADORA3 (0.37) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7015194 0.88 ADORA3 (0.37) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7015193 0.88 ADORA3 (0.37) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7022655 0.76
SCHEMBL7022651 0.76
SCHEMBL7027041 0.75 ADORA3 (0.37) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7027036 0.75 ADORA3 (0.37) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7014590 0.74 FEN1 (0.35) KDM4EALDH1A1HPGD
SCHEMBL7022760 0.74 ADORA3 (0.36) ADORA3PDE4AADORA2APDE4BPDE4C
SCHEMBL7022754 0.74 ADORA3 (0.36) ADORA3PDE4AADORA2APDE4BPDE4C

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