SCHEMBL7020397

SCHEMBL7020397

Cn1ncc2c(=O)n(CCC(S)CS)c(=O)[nH]c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT1 P17948 1/20 0.30

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
SCHEMBL7020401 1.00 QPCT (0.35) QPCTALDH1A1LMNAHPGDMAPK1
SCHEMBL7024004 0.88 ALDH1A1 (0.33) QPCTALDH1A1LMNAHPGDMAPK1
SCHEMBL7024008 0.88 ALDH1A1 (0.33) QPCTALDH1A1LMNAHPGDMAPK1
SCHEMBL7022644 0.76 QPCT (0.32) QPCTALDH1A1
SCHEMBL7022645 0.76 QPCT (0.32) QPCTALDH1A1
SCHEMBL7022632 0.75 XDH (0.41) ALDH1A1LMNAHPGD
SCHEMBL7022638 0.75 XDH (0.41) ALDH1A1LMNAHPGD
SCHEMBL7015194 0.74 ADORA3 (0.37) QPCTALDH1A1HPGDHTT
SCHEMBL7015193 0.74 ADORA3 (0.37) QPCTALDH1A1HPGDHTT
SCHEMBL7020155 0.74 ALDH1A1 (0.32) QPCTALDH1A1LMNAHPGDMAPK1

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