SCHEMBL3265771

SCHEMBL3265771

COc1ccc2c(C(=O)C(=O)N(Cc3ccccn3)CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.40
KDR P35968 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL7938686 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL4566499 0.85 MAPT (0.52) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7947177 0.85 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7947595 0.84 MAPT (0.49) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7945127 0.83 MAPT (0.57) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL4307626 0.82 MAPT (0.51) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL3122360 0.82 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL3233479 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL4556850 0.82 MAPT (0.56) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7948285 0.82 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1KDM4ESMN1; SMN2

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