SCHEMBL2641907

SCHEMBL2641907

CN(C)c1ccc(C=Cc2cccnc2I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.62
SNCA P37840 4/20 0.54
MAPT P10636 6/20 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
S100A4 P26447 1/20 0.47
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
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL2641903 1.00 APP (0.62) APPSNCAMAPTMEN1KMT2A
SCHEMBL2641877 0.83 SNCA (0.48) APPSNCAMAPTMEN1KMT2A
SCHEMBL12185951 0.83 APP (0.56) APPSNCAMAPTMEN1KMT2A
SCHEMBL27882977 0.83 APP (0.55) APPSNCAMAPTMEN1KMT2A
SCHEMBL2641774 0.81 APP (0.54) APPSNCAMAPTMEN1KMT2A
Iodide SCHEMBL27866683 0.81 APP (0.54) APPSNCAMAPTMEN1KMT2A
SCHEMBL2641843 0.81 SNCA (0.54) APPSNCAMAPTMEN1KMT2A
SCHEMBL2641847 0.81 SNCA (0.54) APPSNCAMAPTMEN1KMT2A
SCHEMBL2641781 0.81 APP (0.54) APPSNCAMAPTMEN1KMT2A
SCHEMBL12186034 0.77 SNCA (0.43) APPSNCAMAPTMEN1KMT2A

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