SCHEMBL7948285

SCHEMBL7948285

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB1 Q9H4B7 2/20 0.44
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
HTR4 Q13639 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3122360 0.91 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3129608 0.91 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7945127 0.90 MAPT (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3124609 0.88 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7992745 0.88 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7992052 0.87 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7949180 0.87 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7985731 0.87 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3119104 0.87 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4556850 0.87 MAPT (0.56) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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