SCHEMBL8923717

SCHEMBL8923717

CCOc1ccc(-c2nc(-c3ccc(NC(N)=S)cc3)cs2)cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
SREBF2 Q12772 6/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
FPR2 P25090 1/20 0.45
ALOX5 P09917 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN7 P35236 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
DCK P27707 2/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL8923905 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL6199824 0.81 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL8923403 0.81 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSREBF2
Hydrochloric Acid SCHEMBL6199487 0.80 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DSREBF2
Hydrochloric Acid SCHEMBL6196997 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL6194685 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL8924580 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924567 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL6202837 0.79 SREBF2 (0.60) PDE4APDE4BPDE4CPDE4DSREBF2
SCHEMBL7499486 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSREBF2

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