SCHEMBL6229490

SCHEMBL6229490

COc1ccc(C2C=NNC(=O)C2)cc1OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
SIGMAR1 Q99720 7/20 0.44
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL6228923 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6232762 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL6232341 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL498074 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6228447 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL6228237 0.81 PDE4B (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6229565 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6229342 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL6227157 0.80 SIGMAR1 (0.48) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL6233638 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DHIF1A

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-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed