SCHEMBL6673334

SCHEMBL6673334

COc1ccc(Cn2cnc(O)c3nc(C(C)(C)OCc4ccccc4)nc2-3)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CSF1R P07333 3/20 0.43
BCHE P06276 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AMY1A P0DUB6 1/20 0.39
CACNA1F O60840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CACNA1D Q01668 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
SCHEMBL6673814 0.96 CSF1R (0.43) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL7739711 0.89 CSF1R (0.45) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6672886 0.88 PDE4A (0.49)
Hydrochloric Acid SCHEMBL7205601 0.88 CSF1R (0.44) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6672882 0.88 CSF1R (0.40) MAPK1KDM4ELMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL7209501 0.85 MAPK1 (0.43) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL7380972 0.85 CSF1R (0.44) MAPK1HSD17B10KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL7742154 0.84 CSF1R (0.43) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6675823 0.83 MAPK1 (0.46) MAPK1HSD17B10KDM4ELMNATSHR
SCHEMBL6672646 0.81 PDE4A (0.52)

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