SCHEMBL6232676

SCHEMBL6232676

CCCCOc1cc(C2C=NN(C)C(=O)C2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.54
PDE4B Q07343 7/20 0.54
PDE4D Q08499 6/20 0.54
PDE4C Q08493 5/20 0.54
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HTR2C P28335 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6227157 0.85 SIGMAR1 (0.48) PDE4APDE4BPDE4DPDE4CMAPK1
SCHEMBL6231023 0.85 PDE4A (0.44) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL6234381 0.84 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CGAA
SCHEMBL6230195 0.84 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CMAPT
SCHEMBL6232717 0.84 PDE4B (0.50) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL6229121 0.83 PDE4A (0.40) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL6232071 0.79 PDE4A (0.40) PDE4APDE4BPDE4DPDE4CMAPT
SCHEMBL6232341 0.79 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CMAPK1
SCHEMBL6233098 0.77 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CMAPK1
SCHEMBL8575965 0.71 PDE4A (0.63) PDE4APDE4BPDE4DPDE4CMAPK1

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