SCHEMBL4243904

SCHEMBL4243904

Cc1cc2c(c(NCCc3ccccc3)n1)C(=O)OCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TAAR1 Q96RJ0 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APP P05067 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 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
SCHEMBL4069309 0.88 RECQL (0.45) KDM4EALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL4070413 0.79 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2TAAR1
SCHEMBL4064392 0.76 CD38 (0.44) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL4251335 0.76 KCNH2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL4251339 0.73 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4064215 0.73 RAB9A (0.38) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4063747 0.73 GAA (0.41) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL4065342 0.72 L3MBTL1 (0.45) KDM4EALDH1A1HPGDMAPK1TDP1
SCHEMBL4063497 0.71 KDM4E (0.44) KDM4EALDH1A1HPGDGAAL3MBTL1
SCHEMBL4465084 0.70 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1

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 8 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 claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
JP-2007517024-A 2007-06-28 JP claimed
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 claimed
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 claimed
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