SCHEMBL4071272

SCHEMBL4071272

COc1nc(-c2ccccc2)cc(C)c1C#N.Cc1cc(-c2ccccc2)nc(Cl)c1C#N

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.80
SQOR Q9Y6N5 11/20 0.67
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4073012 0.92 SQOR (0.78) L3MBTL1SQORALDH1A1KDM4EMAPT
SCHEMBL4066436 0.89 L3MBTL1 (1.00) L3MBTL1SQORALDH1A1KDM4EMAPT
SCHEMBL22215650 0.81 SQOR (1.00) L3MBTL1SQORALDH1A1KDM4EMAPT
SCHEMBL27176092 0.80 L3MBTL1 (0.67) L3MBTL1SQORALDH1A1KDM4EMAPT
SCHEMBL29442324 0.79 SQOR (1.00) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL22208233 0.79 SQOR (1.00) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL22208347 0.77 SQOR (0.86) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL29442436 0.77 SQOR (0.86) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL4071607 0.76 RECQL (0.59) L3MBTL1ALDH1A1KDM4EGAARECQL
SCHEMBL22208216 0.76 SQOR (0.75) L3MBTL1SQORALDH1A1KDM4EMAPT

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