SCHEMBL27771981

SCHEMBL27771981

CN(c1ccncc1)c1ccc(F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A2 P23975 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
RAF1 P04049 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL13338165 0.84 CHRM5 (0.45) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL5998653 0.75 CHRM5 (0.52) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL5998627 0.75 CHRM5 (0.52) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL1076934 0.75 ALDH1A1 (0.43) MEN1NPC1ALOX15RAB9AKMT2A
SCHEMBL3409151 0.74 CHRM5 (0.68) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL5998795 0.71 GRM5 (0.45) CHRM5CHKASLC6A2NPC1RAB9A
SCHEMBL6000218 0.71 ABCG2 (0.46) CHRM5CHKASLC6A2NPC1RAB9A
SCHEMBL2222390 0.71 CHKA (0.52) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL13338174 0.69 CHKA (0.45) CHRM5CHKAMAPTSMN1; SMN2SLC6A2
SCHEMBL13338166 0.69 CHRM5 (0.45) CHRM5CHKAMAPTSMN1; SMN2SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501041-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed