SCHEMBL7019332

SCHEMBL7019332

O=c1[nH]c2[nH]ncc2c(=O)n1CC(S)CS

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 14/20 0.43
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7019335 1.00 XDH (0.43) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7022638 0.86 XDH (0.41) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7022632 0.86 XDH (0.41) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7015562 0.73 XDH (0.44) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7015566 0.73 XDH (0.44) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7024008 0.73 ALDH1A1 (0.33) ALDH1A1HPGDLMNA
SCHEMBL7024004 0.73 ALDH1A1 (0.33) ALDH1A1HPGDLMNA
SCHEMBL11208782 0.72 XDH (0.47) XDHMAPTALDH1A1HPGDLMNA
SCHEMBL7022655 0.72
SCHEMBL7022651 0.72

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
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 claimed
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