SCHEMBL8924580

SCHEMBL8924580

CCOc1ccc(-c2nc(-c3cccc(NC(=N)N)c3)cs2)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 3/20 0.47
TP53 P04637 1/20 0.47
EGFR P00533 4/20 0.46
CDC25A P30304 2/20 0.46
CDC25B P30305 2/20 0.46
CDC25C P30307 2/20 0.46
DUSP3 P51452 2/20 0.46
CYP1A1 P04798 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
SCHEMBL8923717 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6194685 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DMAPT
Hydrochloric Acid SCHEMBL6196997 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6200825 0.78 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DMAPT
Iodide SCHEMBL8924762 0.76 CDC25A (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7491504 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6199824 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8923403 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPT
Hydrochloric Acid SCHEMBL6199487 0.75 SREBF2 (0.59) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6201319 0.75 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DMAPT

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