SCHEMBL7017940

SCHEMBL7017940

C[C@](S)(CS)CCn1c(=O)[nH]c2nccnc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ADRA1B P35368 1/20 0.39
ADORA2A P29274 4/20 0.36
ADORA2B P29275 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
LMNA P02545 1/20 0.36
APAF1 O14727 1/20 0.33
CASP6 P55212 1/20 0.33
USP2 O75604 4/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL7017938 1.00 KDM4E (0.41) KDM4EADRA1BADORA2AADORA2BPDE4A
SCHEMBL7018087 0.87 KDM4E (0.43) KDM4EADRA1BADORA2AADORA2BPDE4A
SCHEMBL7018089 0.87 KDM4E (0.43) KDM4EADRA1BADORA2AADORA2BPDE4A
SCHEMBL7014430 0.81 MAPT (0.48) KDM4EADRA1BPOLBKMT2ASMN1; SMN2
SCHEMBL7014427 0.81 MAPT (0.48) KDM4EADRA1BPOLBKMT2ASMN1; SMN2
SCHEMBL7022004 0.81 ADRA1B (0.42) KDM4EADRA1BADORA2AADORA2BADORA3
SCHEMBL7022008 0.81 ADRA1B (0.42) KDM4EADRA1BADORA2AADORA2BADORA3
SCHEMBL7022161 0.80 USP2 (0.38) KDM4EADORA2AADORA2BPDE4APDE4B
SCHEMBL7022158 0.80 USP2 (0.38) KDM4EADORA2AADORA2BPDE4APDE4B
SCHEMBL7016851 0.76 ADORA2A (0.33) KDM4EADORA2AADORA2BPDE4APDE4B

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