SCHEMBL6675820

SCHEMBL6675820

COc1ccc(CN2CNC(=O)c3[nH]c(C(C)C)nc32)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ KDM4C Q9H3R0 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
SCHEMBL6677649 0.90 SIGMAR1 (0.43) MAPK1KDM4ELMNAALDH1A1PDE4A
SCHEMBL6673331 0.84 MAPK1 (0.45) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6155739 0.83 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675784 0.79 GAA (0.42) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL6674804 0.79 ALDH1A1 (0.39) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6672378 0.76 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675826 0.73 PDE4A (0.55) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6675806 0.72 SIRT2 (0.45) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6672879 0.71 ALDH1A1 (0.37) KDM4ELMNAALDH1A1HTTPDE4B
SCHEMBL10700291 0.66 MAPK1 (0.48) MAPK1HSD17B10KDM4ELMNATSHR

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