SCHEMBL2641877

SCHEMBL2641877

CN(C(=O)O)c1ccc(/C=C/c2cccnc2I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.48
APP P05067 3/20 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
NQO2 P16083 1/20 0.38
RELA Q04206 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
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
SMN1; SMN2 Q16637 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) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641852 0.84 SNCA (0.46) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641810 0.84 SNCA (0.48) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641903 0.83 APP (0.62) SNCAAPPALDH1A1RELAMEN1
SCHEMBL2641907 0.83 APP (0.62) SNCAAPPALDH1A1RELAMEN1
SCHEMBL12186034 0.83 SNCA (0.43) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641940 0.80 SNCA (0.42) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641813 0.76 MAPT (0.41) SNCAAPPALDH1A1CYP1A2HPGD
SCHEMBL2641919 0.75 APP (0.40) SNCAAPPRELAMEN1MAPT
SCHEMBL2641875 0.73 HDAC6 (0.44) SNCAALDH1A1CYP1A2HPGDMAPT

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