SCHEMBL6232341

SCHEMBL6232341

CCCCOc1cc(C2C=NNC(=O)C2)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.60
PDE4D Q08499 11/20 0.60
PDE4B Q07343 10/20 0.60
PDE4C Q08493 10/20 0.60
MAPK1 P28482 2/20 0.45
TNF P01375 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL498074 0.87 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6229490 0.85 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6233638 0.84 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL6228923 0.84 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL6229565 0.84 PDE4A (0.44) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6229342 0.84 PDE4A (0.60) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL6228237 0.84 PDE4B (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL6232762 0.82 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CMAPK1
SCHEMBL6226932 0.82 PDE4A (0.42) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL6232676 0.79 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CMAPK1

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