SCHEMBL3233479

SCHEMBL3233479

COc1ccc2c(C(=O)C(=O)N(Cc3nnn[nH]3)CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
TUBB1 Q9H4B7 2/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4307626 0.87 MAPT (0.51) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4566499 0.84 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7945127 0.83 MAPT (0.57) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3122360 0.82 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7947177 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3265771 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4556850 0.82 MAPT (0.56) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7948285 0.82 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3129608 0.82 MAPT (0.58) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7947595 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1KDM4EMEN1

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 4 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-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
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed