SCHEMBL8923945

SCHEMBL8923945

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.63
PDE4B Q07343 1/20 0.63
PDE4C Q08493 1/20 0.63
PDE4D Q08499 1/20 0.63
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
DCK P27707 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SREBF2 Q12772 3/20 0.40
FPR2 P25090 1/20 0.40
CYP19A1 P11511 1/20 0.40
THRB P10828 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
SCHEMBL7494039 0.86 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922774 0.85 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9413081 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL7499195 0.83 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923733 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922486 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8926273 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8923619 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7491504 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924814 0.78 PDE4A (0.62) 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