SCHEMBL4315205

SCHEMBL4315205

COCc1noc(CN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3cc(F)ccc23)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MAPK14 Q16539 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PKM P14618 2/20 0.33
SLC6A4 P31645 1/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GRK2 P25098 1/20 0.32
GRK5 P34947 1/20 0.32
GRK1 Q15835 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4310162 0.91 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1ROCK2ROCK1
SCHEMBL7946315 0.81 MAPK14 (0.36) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL7944882 0.80 MAPT (0.49) ALDH1A1MAPTL3MBTL1ROCK2ROCK1
SCHEMBL7982425 0.78 PKM (0.43) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL4306639 0.77 MAPK14 (0.37) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL7985830 0.77 POLB (0.34) POLBALDH1A1MAPTROCK2GRK2
SCHEMBL3120950 0.76 ALDH1A1 (0.40) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL4304078 0.76 MAPK14 (0.43) MAPK14ALDH1A1MAPTL3MBTL1ROCK2
SCHEMBL7938686 0.76 ALDH1A1 (0.40) MAPK14ALDH1A1ROCK2ROCK1PKM
SCHEMBL4310271 0.75 ALDH1A1 (0.41) MAPK14ALDH1A1MAPTL3MBTL1ROCK2

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 claimed