SCHEMBL2641843

SCHEMBL2641843

CN(C)c1ccc(/C=C/c2cccnc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.54
APP P05067 6/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
RAB9A P51151 1/20 0.53
HBB P68871 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RELA Q04206 1/20 0.51
S100A4 P26447 1/20 0.47
NFE2L2 Q16236 5/20 0.44
MAT2A P31153 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2641847 1.00 SNCA (0.54) SNCAAPPMAPTMEN1NPC1
SCHEMBL2641810 0.83 SNCA (0.48) SNCAAPPNPC1RAB9ASMN1; SMN2
SCHEMBL27882977 0.83 APP (0.55) SNCAAPPMAPTMEN1NPC1
SCHEMBL12185951 0.83 APP (0.56) SNCAAPPMAPTMEN1NPC1
Iodide SCHEMBL27866683 0.81 APP (0.54) SNCAAPPMAPTMEN1NPC1
SCHEMBL2641781 0.81 APP (0.54) SNCAAPPMAPTMEN1NPC1
SCHEMBL2641903 0.81 APP (0.62) SNCAAPPMAPTMEN1NPC1
SCHEMBL2641907 0.81 APP (0.62) SNCAAPPMAPTMEN1NPC1
SCHEMBL2641774 0.81 APP (0.54) SNCAAPPMAPTMEN1NPC1
SCHEMBL32661415 0.80 NFE2L2 (0.51) NPC1RAB9ANFE2L2

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