SCHEMBL7499485

SCHEMBL7499485

CCOc1ccc(-c2nc(-c3cc(C#N)ccn3)cs2)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
S1PR1 P21453 3/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
DUSP3 P51452 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SREBF2 Q12772 4/20 0.42
SREBF1 P36956 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL6199960 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7491504 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8926273 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922774 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924633 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7502906 0.79 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923945 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6194685 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL8922401 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6199824 0.75 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 9 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
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US 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
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed