SCHEMBL8479743

SCHEMBL8479743

COc1ccc(-c2ccc(=O)[nH]n2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 1.00
PDE4B Q07343 6/20 1.00
PDE4C Q08493 6/20 1.00
PDE4D Q08499 6/20 1.00
PDE3B Q13370 5/20 0.77
PDE3A Q14432 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
LMNA P02545 3/20 0.77
CYP1A2 P05177 3/20 0.77
MAPK1 P28482 3/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
TP53 P04637 1/20 0.77
HPGD P15428 1/20 0.77
TSHR P16473 1/20 0.77
BLM P54132 1/20 0.77
PMP22 Q01453 1/20 0.77
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56

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
SCHEMBL10761953 0.89 PDE4B (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761260 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10764347 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10757789 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12595743 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17446992 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10779323 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
Zardaverine SCHEMBL13334 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
Zardaverine SCHEMBL29388700 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
Zardaverine SCHEMBL15263214 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 US claimed
US-5883090-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-16 US disclosed
EP-0796250-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1997-09-24 EP disclosed
WO-1997013758-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-17 WO disclosed
US-4707481-A Pyridazinones, their preparation and use, and bronchospasmolytic medicaments containing pyridazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed
EP-0125636-B1 PYRIDAZINONES, THEIR PREPARATION AND USE, MEDICINES CONTAINING THESE PYRIDAZINONES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-04-01 EP disclosed
WO-1984004521-A1 PYRIDAZINONES, THEIR PREPARATION AND USE, AND MEDICAMENTS CONTAINING PYRIDAZINONES BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-22 WO disclosed
EP-0125636-A1 Pyridazinones, their preparation and use, medicines containing these pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-21 EP disclosed
US-4404203-A AND 6-PHENYL-4,5-DIHYDRO-3/2H/-PYRIDAZINONES WARNER-LAMBERT COMPANY (US) 1983-09-13 US disclosed
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 US disclosed