SCHEMBL7937760

SCHEMBL7937760

COc1ccc2c(C(=O)C(=O)N(CC(=O)NCCN3CCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
HTR4 Q13639 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.45
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
AHCY P23526 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7937758 0.88 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL7947627 0.87 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3265135 0.83 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3946896 0.77 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3946586 0.75 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4308534 0.75 ADRA1D (0.43) ALDH1A1KDM4EHSD17B10
SCHEMBL4318665 0.75 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL3950369 0.74 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4038215 0.74 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1ALOX15KDM4E
SCHEMBL4357338 0.74 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1ALOX15KDM4E

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