SCHEMBL7020004

SCHEMBL7020004

Cn1ccc2[nH]c(=O)n(CC(S)CS)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CRBN Q96SW2 1/20 0.33
TBXAS1 P24557 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
DAO P14920 1/20 0.31
B3GNT2 Q9NY97 1/20 0.30
MPO P05164 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
SCHEMBL7020008 1.00 CYP1A2 (0.33) CYP1A2CRBNTBXAS1MEN1KMT2A
SCHEMBL7024907 0.88 QPCT (0.33) CYP1A2CRBNMPO
SCHEMBL7024912 0.88 QPCT (0.33) CYP1A2CRBNMPO
SCHEMBL7017549 0.75 BRD4 (0.33) BRD4
SCHEMBL7017554 0.75 BRD4 (0.33) BRD4
SCHEMBL7019026 0.75 CYP1A2 (0.32) CYP1A2CRBNMEN1KMT2A
SCHEMBL7019031 0.75 CYP1A2 (0.32) CYP1A2CRBNMEN1KMT2A
SCHEMBL7012482 0.74 ADORA3 (0.33) CYP1A2CRBNMEN1KMT2AMPO
SCHEMBL7012478 0.74 ADORA3 (0.33) CYP1A2CRBNMEN1KMT2AMPO
SCHEMBL7022854 0.73 CYP1A2 (0.59) CYP1A2MEN1KMT2AMPO

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 4 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 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 claimed
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