SCHEMBL6827397

SCHEMBL6827397

COc1cccc(-c2cc(-c3ccccc3)cc(=O)n2N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
BRD4 O60885 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
GLO1 Q04760 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.42
HSP90AA1 P07900 1/20 0.42
BACE1 P56817 4/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6827252 0.87 L3MBTL1 (0.73) L3MBTL1NPC1RAB9AHDAC4HDAC8
SCHEMBL6824235 0.82 L3MBTL1 (0.65) L3MBTL1NPC1RAB9AGLO1KMT2A
SCHEMBL6827428 0.77 L3MBTL1 (0.62) L3MBTL1BRD4NPC1RAB9AGLO1
Methylamine SCHEMBL27666960 0.74 MAOB (0.61) NPC1RAB9AHDAC4HDAC8KMT2A
SCHEMBL28102064 0.74 CYP1A2 (0.72) NPC1RAB9AHDAC4HDAC8KMT2A
SCHEMBL458391 0.74 CYP1A1 (0.64) BRD4NPC1RAB9AHDAC4HDAC8
SCHEMBL29740761 0.74 CYP1A1 (0.64) BRD4NPC1RAB9AHDAC4HDAC8
SCHEMBL6824832 0.73 L3MBTL1 (0.81) L3MBTL1GLO1KMT2AMEN1GAA
SCHEMBL6827244 0.73 L3MBTL1 (0.81) L3MBTL1GLO1KMT2AMEN1GAA
SCHEMBL6827186 0.72 L3MBTL1 (0.73) L3MBTL1GLO1HSP90AA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed