SCHEMBL2641868

SCHEMBL2641868

CN(C(=O)O)c1ccc(/C=C/c2ccnc(Br)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.58
KDM1A O60341 8/20 0.58
HDAC6 Q9UBN7 8/20 0.58
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.39
APP P05067 1/20 0.36
HSD17B3 P37058 1/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC11 Q96DB2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2641910 0.83 MAPT (0.41) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641772 0.83 NR3C1 (0.41) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641813 0.83 MAPT (0.41) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL12185896 0.82 HDAC1 (0.51) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641798 0.82 MAPT (0.61) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641794 0.82 MAPT (0.61) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641871 0.80 MAPT (0.39) HDAC1KDM1AHDAC6MAPTMEN1
SCHEMBL2641829 0.80 APP (0.40) HDAC1HDAC6MAPTMEN1KMT2A
SCHEMBL2641852 0.76 SNCA (0.46) MAPTMEN1KMT2ANPC1ALOX15
SCHEMBL2641792 0.74 EGFR (0.43) HDAC6MAPTMEN1KMT2ANPC1

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