SCHEMBL4243371

SCHEMBL4243371

COc1nc(C)cc2c1C(=O)OCC2.Cc1cc2c(c(O)n1)C(=O)OCC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 2/20 0.33
ERN1 O75460 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP2A6 P11509 1/20 0.32
ATM Q13315 1/20 0.31
IMPDH2 P12268 1/20 0.30

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
SCHEMBL4070664 0.92 KDM4E (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4066514 0.89 GAA (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4786364 0.79 PGR (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4249827 0.79 SQOR (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4476007 0.77 GAA (0.37) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4070926 0.75 CYP1A2 (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4063497 0.74 KDM4E (0.44) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4072219 0.74 MAOA (0.38) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4064580 0.73 SQOR (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4065469 0.72 ALDH1A1 (0.43) GAAKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed