SCHEMBL7989450

SCHEMBL7989450

COCc1noc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3cc(OC)ccc32)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7985830 0.91 POLB (0.34) ALDH1A1ROCK2POLBMAPT
SCHEMBL7948016 0.79 POLB (0.38) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL7947164 0.78 PLA2G2A (0.37) ALDH1A1L3MBTL1SLC2A1MEN1KMT2A
SCHEMBL7938360 0.78 POLB (0.36) ALDH1A1L3MBTL1SLC2A1MEN1KMT2A
SCHEMBL7948614 0.77 POLB (0.40) ALDH1A1L3MBTL1POLBNPC1MAPT
SCHEMBL7945107 0.77 POLB (0.36) ALDH1A1L3MBTL1SLC2A1POLBNPC1
SCHEMBL4310162 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AROCK2
SCHEMBL7946077 0.76 POLB (0.35) ALDH1A1L3MBTL1SLC2A1MEN1KMT2A
SCHEMBL7969073 0.76 MTNR1B (0.35) ALDH1A1MEN1KMT2APOLB
SCHEMBL7946743 0.76 MITF (0.45) ALDH1A1L3MBTL1MEN1KMT2APOLB

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-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed