SCHEMBL3263677

SCHEMBL3263677

O=C(C(=O)N(Cc1cccnc1)CC1CCCCC1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TDO2 P48775 1/20 0.41
PKM P14618 3/20 0.41
POLB P06746 1/20 0.40
HAT1 O14929 2/20 0.39
EP300 Q09472 2/20 0.39
MAPK14 Q16539 2/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7982425 0.89 PKM (0.43) MAPTPKMHAT1EP300MAPK14
SCHEMBL7947595 0.87 MAPT (0.49) GABRA1GABRB2MAPTTP53ALDH1A1
SCHEMBL7938686 0.83 ALDH1A1 (0.40) PKMHAT1EP300MAPK14LMNA
SCHEMBL3120950 0.81 ALDH1A1 (0.40) MAPTTDO2PKMMAPK14ALDH1A1
SCHEMBL4306639 0.80 MAPK14 (0.37) MAPTTDO2PKMMAPK14ALDH1A1
SCHEMBL7946315 0.79 MAPK14 (0.36) MAPTPKMMAPK14ALDH1A1
SCHEMBL4304078 0.78 MAPK14 (0.43) MAPTPKMMAPK14ALDH1A1
SCHEMBL4313368 0.77 ALDH1A1 (0.43) MAPTTDO2POLBMAPK14HPGD
SCHEMBL4312756 0.77 HDAC1 (0.47) MAPTTDO2PKMLMNAALDH1A1
SCHEMBL4566499 0.77 MAPT (0.52) MAPTLMNAALDH1A1

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 3 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