SCHEMBL2641772

SCHEMBL2641772

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
PPARG P37231 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 5/20 0.39
KDM1A O60341 5/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
APP P05067 2/20 0.38
HSD17B3 P37058 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL2641868 0.83 HDAC1 (0.58) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641813 0.83 MAPT (0.41) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641910 0.83 MAPT (0.41) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL12186243 0.82 PAX8 (0.40) NR3C1PPARGMAPTMEN1NPC1
SCHEMBL12186016 0.82 MAPT (0.61) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641871 0.80 MAPT (0.39) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641914 0.80 APP (0.40) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641953 0.77 SNCA (0.46) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL7970830 0.74 LOXL2 (0.45) NR3C1PPARGMAPTNPC1SMN1; SMN2
SCHEMBL7970832 0.74 LOXL2 (0.45) NR3C1PPARGMAPTNPC1SMN1; SMN2

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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed