SCHEMBL7327409

SCHEMBL7327409

CCOC(=O)CNC(CNCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PDE5A O76074 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL7323403 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7320061 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7327414 0.78 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7327536 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7321843 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7323406 0.72 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9272449 0.70 ALDH1A1 (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7397261 0.70 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL16056331 0.70 KMT2A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4049519 0.70 LMNA (0.55) ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557408-A4 IMIDAZOLIDINONE COMPOUNDS 1993-10-27 EP disclosed
EP-0557408-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-01 EP disclosed
WO-1992007567-A1 IMIDAZOLIDINONE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-05-14 WO disclosed