SCHEMBL4789301

SCHEMBL4789301

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(-c4ccc(NS(C)(=O)=O)cc4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.43
MAPT P10636 2/20 0.41
TDP2 O95551 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39
AOC3 Q16853 1/20 0.38
MAT2A P31153 1/20 0.38

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
SCHEMBL4786029 0.84 MAPT (0.52) PTGS2HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL14021050 0.83 MAPT (0.45) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL4789078 0.81 MAPT (0.44) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4788865 0.81 MAPT (0.43) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4789195 0.80 MAPT (0.42) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4788238 0.80 ALDH1A1 (0.44) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4786757 0.79 MAPT (0.44) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4789280 0.79 MAPT (0.41) HPGDHSD17B10ALDH1A1GAAMAPT
SCHEMBL4786879 0.79 MAPT (0.41) HPGDHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL4788932 0.78 MAPT (0.42) HPGDHSD17B10ALDH1A1MAPTKMT2A

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-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed