SCHEMBL4786029

SCHEMBL4786029

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Br)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.42
GRM1 Q13255 2/20 0.41
GRM5 P41594 1/20 0.41
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
HIF1A Q16665 2/20 0.41
DHFR P00374 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL14021050 0.89 MAPT (0.45) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4788865 0.86 MAPT (0.43) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4789078 0.85 MAPT (0.44) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4789280 0.84 MAPT (0.41) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4789301 0.84 PTGS2 (0.43) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4786879 0.84 MAPT (0.41) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4789195 0.83 MAPT (0.42) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4788238 0.83 ALDH1A1 (0.44) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4788932 0.83 MAPT (0.42) MAPTTP53GRM1GRM5CYP1A2
SCHEMBL4786757 0.82 MAPT (0.44) MAPTTP53GRM1GRM5CYP1A2

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