SCHEMBL6229342

SCHEMBL6229342

COc1ccc(C2C=NNC(=O)C2)cc1OCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.60
PDE4B Q07343 10/20 0.60
PDE4D Q08499 9/20 0.60
PDE4C Q08493 8/20 0.60
ALOX15 P16050 1/20 0.39
XDH P47989 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL6233638 0.89 PDE4A (0.50) PDE4APDE4BPDE4DPDE4CPDE3B
SCHEMBL498074 0.87 PDE4A (0.52) PDE4APDE4BPDE4DPDE4CALOX15
SCHEMBL6229565 0.84 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CALOX15
SCHEMBL6232341 0.84 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPDE3B
SCHEMBL6228237 0.84 PDE4B (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL6232762 0.82 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL6226932 0.82 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CPDE3B
SCHEMBL6229490 0.81 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL6230195 0.79 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL498001 0.78 PDE4B (0.60) PDE4APDE4BPDE4DPDE4CALOX15

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