SCHEMBL10762505

SCHEMBL10762505

COc1ccc(-c2ccc(=S)[nH]n2)cc1OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.51
PDE4B Q07343 5/20 0.51
PDE4C Q08493 5/20 0.51
PDE4D Q08499 5/20 0.51
XDH P47989 4/20 0.48
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10761773 0.95 XDH (0.54) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL10758184 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8996757 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL10760024 0.83 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8996776 0.80 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL10759046 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9257719 0.74 XDH (0.53) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL9186302 0.74 XDH (0.47) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL10758080 0.73 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL10757789 0.70 PDE4A (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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