SCHEMBL6673141

SCHEMBL6673141

COc1ccc(Cn2c(N)c(NC(=O)C(C)(C)O)c(=O)[nH]c2=S)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.44
PDE4A P27815 15/20 0.44
PDE4C Q08493 15/20 0.44
PDE4D Q08499 15/20 0.44
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 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
SCHEMBL6677308 0.88 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6675416 0.88 KDM4E (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7026709 0.88 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6673809 0.87 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL8409717 0.83 KDM4E (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6673366 0.83 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7031802 0.80 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7088560 0.79 KDM4E (0.50) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6675937 0.77 ALDH1A1 (0.51) KDM4EUSP2ALDH1A1MAPTHPGD
SCHEMBL6672335 0.77 MAPT (0.49) KDM4EUSP2ALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed