SCHEMBL6673331

SCHEMBL6673331

COc1ccc(CN2CNC(=O)c3[nH]c(C(C)(C)OCc4ccccc4)nc32)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ 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
▸ HSD17B10 Q99714 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4C Q9H3R0 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
SCHEMBL6674804 0.96 ALDH1A1 (0.39) MAPK1KDM4ELMNATSHRALDH1A1
SCHEMBL6674748 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL6672879 0.88 ALDH1A1 (0.37) KDM4ELMNAALDH1A1HTTPDE4B
SCHEMBL6675820 0.84 MAPK1 (0.46) MAPK1KDM4ELMNATSHRALDH1A1
SCHEMBL7740521 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6677675 0.78 MAPT (0.37) MAPK1LMNATSHRALDH1A1HTT
SCHEMBL6673336 0.75 PDE4A (0.47) MAPK1KDM4ELMNATSHRALDH1A1
SCHEMBL6672378 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL6673308 0.73 SIRT2 (0.45) MAPK1KDM4ELMNATSHRALDH1A1
SCHEMBL6677649 0.73 SIGMAR1 (0.43) MAPK1KDM4ELMNAALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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