SCHEMBL7499486

SCHEMBL7499486

CCOc1ccc(-c2nc(-c3cc[n+](O)cc3)cs2)cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
DUSP3 P51452 1/20 0.47
FPR2 P25090 1/20 0.46
SREBF2 Q12772 6/20 0.46
SREBF1 P36956 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP19A1 P11511 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
DCK P27707 2/20 0.43
ATM Q13315 1/20 0.43

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
Iodide SCHEMBL6202003 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7499471 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6199824 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6194685 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6202837 0.84 SREBF2 (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL6199487 0.82 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6201319 0.82 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923403 0.81 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6199960 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8925279 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed