SCHEMBL7947595

SCHEMBL7947595

COc1ccc2c(C(=O)C(=O)N(Cc3cccnc3)CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.46
KIF20A O95235 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
GAA P10253 3/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC2A1 P11166 1/20 0.41
ROCK2 O75116 2/20 0.40

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
SCHEMBL4566499 0.90 MAPT (0.52) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL3263677 0.87 GABRA1 (0.45) MAPTALDH1A1TP53GABRA1GABRB2
SCHEMBL3265771 0.84 MAPT (0.50) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL7945127 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL4307626 0.82 MAPT (0.51) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL3122360 0.82 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL7947177 0.81 MAPT (0.50) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL3233479 0.81 MAPT (0.50) MAPTALDH1A1L3MBTL1GAAKDM4E
SCHEMBL4556850 0.81 MAPT (0.56) MAPTALDH1A1L3MBTL1GAAHTT
SCHEMBL7948285 0.81 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1GAAKDM4E

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-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed