SCHEMBL7024008

SCHEMBL7024008

Cn1ncc2c(=O)n(C[C@@H](S)CS)c(=O)[nH]c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 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
SCHEMBL7024004 1.00 ALDH1A1 (0.33) ALDH1A1QPCTLMNAHPGDMAPK1
SCHEMBL7020397 0.88 QPCT (0.35) ALDH1A1QPCTLMNAHPGDMAPK1
SCHEMBL7020401 0.88 QPCT (0.35) ALDH1A1QPCTLMNAHPGDMAPK1
SCHEMBL7020155 0.75 ALDH1A1 (0.32) ALDH1A1QPCTLMNAHPGDMAPK1
SCHEMBL7020152 0.75 ALDH1A1 (0.32) ALDH1A1QPCTLMNAHPGDMAPK1
SCHEMBL7022645 0.74 QPCT (0.32) ALDH1A1QPCT
SCHEMBL7022644 0.74 QPCT (0.32) ALDH1A1QPCT
SCHEMBL7016335 0.74 ADORA3 (0.37) ALDH1A1HPGD
SCHEMBL7016331 0.74 ADORA3 (0.37) ALDH1A1HPGD
SCHEMBL7019332 0.73 XDH (0.43) ALDH1A1LMNAHPGD

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