SCHEMBL6672335

SCHEMBL6672335

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 9/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7319925 0.90 KDM4E (0.61) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6673404 0.82 MEN1 (0.50) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL7539507 0.81 KDM4E (0.41) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL7088560 0.80 KDM4E (0.50) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6678160 0.80 GAA (0.56) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6675937 0.80 ALDH1A1 (0.51) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6679248 0.79 MEN1 (0.43) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL7927865 0.78 SIRT2 (0.43) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6676636 0.76 GAA (0.52) MAPTKDM4EALDH1A1USP2HPGD
SCHEMBL6673145 0.76 ALDH1A1 (0.47) MAPTKDM4EALDH1A1USP2HPGD

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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