SCHEMBL8924743

SCHEMBL8924743

CCOc1ccc(-c2nc(-c3cccc(C(=N)N)n3)cs2)cc1OCC.COS(=O)(=O)O

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68
PDE4C Q08493 1/20 0.68
PDE4D Q08499 1/20 0.68
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
FPR2 P25090 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PLAU P00749 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8924149 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1545319 0.82 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKDM4E
Tetomilast SCHEMBL29369138 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
Tetomilast SCHEMBL436663 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9412984 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922503 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8922514 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8924903 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7499977 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21653506 0.80 PDE4A (0.81) 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