SCHEMBL6676636

SCHEMBL6676636

COc1ccc(Cn2c(N)c(N=O)c(=O)[nH]c2=S)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RXFP1 Q9HBX9 3/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7316278 0.88 ALDH1A1 (0.57) GAAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL7031802 0.88 PDE4B (0.45) GAAMAPK1
SCHEMBL6678160 0.86 GAA (0.56) GAAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL1960095 0.85 MEN1 (0.51) GAAALDH1A1MAPTKDM4ERXFP1
SCHEMBL1958325 0.78 MPO (0.55) GAAALDH1A1MAPTKDM4EUSP2
SCHEMBL7088468 0.77 PDE4B (0.48) ALDH1A1MAPTKDM4EUSP2HPGD
SCHEMBL6678391 0.77 GAA (0.57) GAAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL6672335 0.76 MAPT (0.49) GAAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL6672511 0.75 SIRT2 (0.51) GAAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL6673366 0.75 PDE4B (0.48) GAAMAPK1

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
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