SCHEMBL7022754

SCHEMBL7022754

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.36
ADORA2B P29275 5/20 0.33
ADORA2A P29274 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7022760 1.00 ADORA3 (0.36) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7027041 0.89 ADORA3 (0.37) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7027036 0.89 ADORA3 (0.37) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7016851 0.80 ADORA2A (0.33) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7016847 0.80 ADORA2A (0.33) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7014427 0.78 MAPT (0.48) KDM4EALDH1A1PKMHTTKMT2A
SCHEMBL7014430 0.78 MAPT (0.48) KDM4EALDH1A1PKMHTTKMT2A
SCHEMBL7097369 0.77 USP2 (0.33) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7015194 0.76 ADORA3 (0.37) ADORA3ADORA2BADORA2APDE4APDE4B
SCHEMBL7015193 0.76 ADORA3 (0.37) ADORA3ADORA2BADORA2APDE4APDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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