SCHEMBL2641798

SCHEMBL2641798

CN(C)c1ccc(C=Cc2ccnc(Br)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CASP1 P29466 2/20 0.61
HBB P68871 2/20 0.61
NPC1 O15118 1/20 0.61
ALOX15 P16050 1/20 0.61
RAB9A P51151 1/20 0.61
KDM1A O60341 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
RELA Q04206 1/20 0.50
S100A4 P26447 1/20 0.49
APP P05067 8/20 0.49
NQO2 P16083 1/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALPG P10696 1/20 0.49

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
SCHEMBL2641794 1.00 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL29905719 0.83 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL2641868 0.82 HDAC1 (0.58) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL27790862 0.81 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL27898404 0.81 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL2641897 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL2641921 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL12186016 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL2641925 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1
SCHEMBL2641892 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2CASP1

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