SCHEMBL2641774

SCHEMBL2641774

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.54
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CASP1 P29466 2/20 0.53
HBB P68871 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
RELA Q04206 1/20 0.51
SNCA P37840 4/20 0.51
S100A4 P26447 1/20 0.47
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MAT2A P31153 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL2641781 1.00 APP (0.54) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641852 0.83 SNCA (0.46) APPMAPTMEN1KMT2ACASP1
SCHEMBL27882977 0.83 APP (0.55) APPMAPTMEN1KMT2ACASP1
SCHEMBL12185951 0.83 APP (0.56) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641843 0.81 SNCA (0.54) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641847 0.81 SNCA (0.54) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641907 0.81 APP (0.62) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641903 0.81 APP (0.62) APPMAPTMEN1KMT2ACASP1
Iodide SCHEMBL27866683 0.81 APP (0.54) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641887 0.78 RELA (0.54) MAPTMEN1KMT2ASMN1; SMN2NPC1

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