SCHEMBL8925973

SCHEMBL8925973

CCOc1ccc(-c2nc(-c3cccc(NCCC(=O)O)n3)cs2)cc1OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
MAPT P10636 5/20 0.45
THRB P10828 1/20 0.45
PDE10A Q9Y233 1/20 0.44
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
FPR2 P25090 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL8922486 0.84 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8922821 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8923733 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8925953 0.82 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL436663 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL29369138 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8924903 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8924814 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL852122 0.80 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL1545319 0.80 PDE4A (0.81) 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