SCHEMBL4739795

SCHEMBL4739795

CCN(CC)c1ccc(CNC(=O)c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 3/20 0.51
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
HDAC2 Q92769 3/20 0.49
AOC3 Q16853 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
HPGDS O60760 2/20 0.47
NAMPT P43490 2/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 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
SCHEMBL3069103 0.87 L3MBTL1 (0.52) KLKB1KLK1AOC3LMNAMAPK1
Hydrochloric Acid SCHEMBL4782319 0.86 L3MBTL1 (0.51) KLKB1KLK1AOC3LMNAMAPK1
Hydrochloric Acid SCHEMBL4736117 0.86 L3MBTL1 (0.51) KLKB1KLK1AOC3LMNAMAPK1
SCHEMBL11629636 0.79 HDAC1 (0.57) HDAC3HDAC1HDAC6HDAC2ERCC1
SCHEMBL9365919 0.77 ERCC1 (0.59) HDAC3HDAC1HDAC6HDAC2ERCC1
SCHEMBL8837372 0.76 L3MBTL1 (0.74) HDAC3HDAC1HDAC6ERCC1ERCC4
SCHEMBL4739798 0.76 LTA4H (0.47) HDAC1AOC3MAPK1
SCHEMBL8183769 0.76 HDAC1 (0.58) HDAC3HDAC1HDAC6HDAC2ERCC1
SCHEMBL10247918 0.76 HPGDS (0.67) HDAC3HDAC1HDAC6KLKB1KLK1
SCHEMBL27306145 0.75 AOC3 (0.51) HDAC1KLKB1KLK1AOC3NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed