SCHEMBL6824466

SCHEMBL6824466

N#Cc1ccc(-c2cc(-c3ccccc3)n(N)c(=O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.73
GLO1 Q04760 5/20 0.50
HSP90AA1 P07900 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
CYP11B2 P19099 2/20 0.41
MYC P01106 1/20 0.39
ALDH1A3 P47895 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP11B1 P15538 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL6827186 1.00 L3MBTL1 (0.73) L3MBTL1GLO1HSP90AA1GABRA1GABRG2
SCHEMBL6827244 0.80 L3MBTL1 (0.81) L3MBTL1GLO1HSP90AA1
SCHEMBL6824832 0.80 L3MBTL1 (0.81) L3MBTL1GLO1HSP90AA1
SCHEMBL6826999 0.78 L3MBTL1 (0.76) L3MBTL1GLO1HSP90AA1
SCHEMBL6827138 0.78 L3MBTL1 (0.76) L3MBTL1GLO1HSP90AA1
SCHEMBL6827252 0.77 L3MBTL1 (0.73) L3MBTL1GLO1HSP90AA1KDM4EHPGD
SCHEMBL13682562 0.75 TSHR (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6824235 0.74 L3MBTL1 (0.65) L3MBTL1GLO1KDM4EHPGD
SCHEMBL72569 0.73 TSHR (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
Water SCHEMBL6336152 0.73 TSHR (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3

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