SCHEMBL7020440

SCHEMBL7020440

O=c1[nH]c2nccnc2c(=O)n1CCC(S)CS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ADRA1B P35368 1/20 0.40
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 3/20 0.35
PDE4A P27815 3/20 0.35
ADORA2A P29274 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
APAF1 O14727 1/20 0.32
CASP6 P55212 1/20 0.32
USP2 O75604 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 3/20 0.31
RGS12 O14924 2/20 0.31
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7020444 1.00 KDM4E (0.43) KDM4EADRA1BLMNAADORA3ADORA2B
SCHEMBL7020408 0.86 KDM4E (0.45) KDM4EADRA1BLMNAADORA3ADORA2B
SCHEMBL7020404 0.86 KDM4E (0.45) KDM4EADRA1BLMNAADORA3ADORA2B
SCHEMBL7019413 0.81 FEN1 (0.50) KDM4EADRA1BPOLBSMN1; SMN2ALDH1A1
SCHEMBL7019417 0.81 FEN1 (0.50) KDM4EADRA1BPOLBSMN1; SMN2ALDH1A1
SCHEMBL7019509 0.81 ADRA1B (0.43) KDM4EADRA1BADORA3ADORA2AALDH1A1
SCHEMBL7019512 0.81 ADRA1B (0.43) KDM4EADRA1BADORA3ADORA2AALDH1A1
SCHEMBL7258493 0.77 USP2 (0.38) KDM4EADORA3ADORA2BPDE4AADORA2A
SCHEMBL7105873 0.77 USP2 (0.38) KDM4EADORA3ADORA2BPDE4AADORA2A
SCHEMBL7023095 0.75 ADORA3 (0.32) KDM4EADORA3ADORA2BPDE4AADORA2A

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