SCHEMBL6673145

SCHEMBL6673145

COc1ccc(Cn2c(N)c(NC(=O)C(C)(C)OCc3ccccc3)c(=O)[nH]c2=S)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CSF1R P07333 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6675937 0.96 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL7540954 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6675416 0.89 KDM4E (0.43) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6679248 0.89 MEN1 (0.43) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6673781 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6677308 0.83 PDE4A (0.42) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6673809 0.82 PDE4B (0.39) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6672511 0.81 SIRT2 (0.51) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL7539507 0.78 KDM4E (0.41) ALDH1A1KDM4EHSD17B10USP2MAPT
SCHEMBL6672335 0.76 MAPT (0.49) ALDH1A1KDM4EHSD17B10USP2MAPT

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 9 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-1045849-B1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2003-07-02 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
EP-1045849-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2001-10-31 EP disclosed
US-6228859-B1 ANTIASTHMATIC, ANTIINFLAMMATORY, ANTIALLERGEN AND ANTIDEPRESSANT AGENTS EURO-CELTIQUE S.A. (LU) 2001-05-08 US disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
EP-1045849-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2000-10-25 EP disclosed
WO-1999031102-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE, S.A. (LU) 1999-06-24 WO disclosed