SCHEMBL7019903

SCHEMBL7019903

C[C@](S)(CS)CCn1c(=O)[nH]c2[nH]ncc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 15/20 0.42
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7019899 1.00 XDH (0.42) XDHLMNAMAPTALDH1A1HPGD
SCHEMBL7015566 0.87 XDH (0.44) XDHLMNAMAPTALDH1A1HPGD
SCHEMBL7015562 0.87 XDH (0.44) XDHLMNAMAPTALDH1A1HPGD
SCHEMBL7022645 0.78 QPCT (0.32) ALDH1A1
SCHEMBL7022644 0.78 QPCT (0.32) ALDH1A1
SCHEMBL7016851 0.75 ADORA2A (0.33) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7022754 0.75 ADORA3 (0.36) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7016847 0.75 ADORA2A (0.33) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7022760 0.75 ADORA3 (0.36) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7022638 0.74 XDH (0.41) XDHLMNAMAPTALDH1A1HPGD

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