SCHEMBL10761773

SCHEMBL10761773

COc1cc(-c2ccc(=S)[nH]n2)ccc1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.54
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
DHODH Q02127 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAPT P10636 5/20 0.45

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
SCHEMBL10762505 0.95 PDE4A (0.51) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL8996776 0.85 PDE4A (0.73) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL10759046 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL10758184 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL10760024 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8996757 0.80 PDE4A (0.73) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL9263478 0.74 XDH (0.59) XDHDHODHSMN1; SMN2MAPTKMT2A
SCHEMBL9547659 0.74 XDH (0.53) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL9185708 0.74 XDH (0.53) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL10757223 0.73 PDE4A (0.70) XDHPDE4APDE4BPDE4CPDE4D

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
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
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