SCHEMBL8922774

SCHEMBL8922774

CCOc1ccc(-c2nc(-c3cccc(C#N)n3)cs2)cc1OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
CTSS P25774 2/20 0.55
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CDC25A P30304 2/20 0.46
CDC25B P30305 2/20 0.46
CDC25C P30307 2/20 0.46
DUSP3 P51452 2/20 0.46
EIF4E P06730 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
FPR2 P25090 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
DCK P27707 2/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8923945 0.85 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCTSS
SCHEMBL7491504 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCTSS
SCHEMBL6199960 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7494039 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8926273 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923619 0.80 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7499485 0.80 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924814 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
Tetomilast SCHEMBL436663 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9413081 0.79 PDE4A (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed