SCHEMBL2641852

SCHEMBL2641852

CN(C(=O)O)c1ccc(/C=C/c2cccnc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.46
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38
NQO2 P16083 1/20 0.38
EGFR P00533 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FGF23 Q9GZV9 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL2641953 0.85 SNCA (0.46) SNCAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2641877 0.84 SNCA (0.48) SNCAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2641810 0.84 SNCA (0.48) SNCAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2641781 0.83 APP (0.54) SNCATRIM24TRIM33ALDH1A1APP
SCHEMBL2641774 0.83 APP (0.54) SNCATRIM24TRIM33ALDH1A1APP
SCHEMBL12185981 0.83 SNCA (0.41) SNCATRIM24TRIM33ALDH1A1CYP1A2
SCHEMBL2641940 0.80 SNCA (0.42) SNCAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL2641868 0.76 HDAC1 (0.58) ALDH1A1APPEGFRRELAMAPT
SCHEMBL2641829 0.75 APP (0.40) ALDH1A1APPEGFRRELAMAPT
SCHEMBL2641850 0.73 HDAC6 (0.46) SNCATRIM24TRIM33CYP1A2KMT2A

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed