SCHEMBL6827252

SCHEMBL6827252

COc1ccc(-c2cc(-c3ccccc3)cc(=O)n2N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
GLO1 Q04760 2/20 0.50
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
BACE1 P56817 2/20 0.45
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL6827397 0.87 L3MBTL1 (0.67) L3MBTL1GLO1HSP90AA1CYP1A2CYP2C9
SCHEMBL6824235 0.83 L3MBTL1 (0.65) L3MBTL1GLO1BACE1ALDH1A1KDM4E
SCHEMBL6824832 0.80 L3MBTL1 (0.81) L3MBTL1GLO1HSP90AA1SMN1; SMN2HTT
SCHEMBL6827244 0.80 L3MBTL1 (0.81) L3MBTL1GLO1HSP90AA1SMN1; SMN2HTT
SCHEMBL6827428 0.78 L3MBTL1 (0.62) L3MBTL1GLO1HSP90AA1ALDH1A1KDM4E
SCHEMBL6827138 0.78 L3MBTL1 (0.76) L3MBTL1GLO1HSP90AA1ALDH1A1HTT
SCHEMBL6826999 0.78 L3MBTL1 (0.76) L3MBTL1GLO1HSP90AA1ALDH1A1HTT
SCHEMBL6827186 0.77 L3MBTL1 (0.73) L3MBTL1GLO1HSP90AA1ABCB1KDM4E
SCHEMBL6824466 0.77 L3MBTL1 (0.73) L3MBTL1GLO1HSP90AA1ABCB1KDM4E
SCHEMBL28102062 0.75 ABL1 (0.73) L3MBTL1CYP1A2CYP2C9CYP2C19BACE1

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