SCHEMBL8924903

SCHEMBL8924903

CCOc1ccc(-c2nc(-c3cccc(C(=O)NO)n3)cs2)cc1OCC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.81
PDE4B Q07343 1/20 0.81
PDE4C Q08493 1/20 0.81
PDE4D Q08499 1/20 0.81
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
TLR7 Q9NYK1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
S1PR1 P21453 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
FPR2 P25090 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1545319 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL29369138 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL436663 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL21653506 0.88 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7499977 0.88 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6197199 0.87 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9412984 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8925279 0.83 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8922503 0.82 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8922514 0.82 PDE4A (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
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