SCHEMBL2641813

SCHEMBL2641813

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
APP P05067 4/20 0.39
KDM1A O60341 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
SNCA P37840 2/20 0.37
HSD17B3 P37058 1/20 0.36
KDR P35968 1/20 0.36
RELA Q04206 1/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641868 0.83 HDAC1 (0.58) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641772 0.83 NR3C1 (0.41) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL12185942 0.82 PAX8 (0.40) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641892 0.82 MAPT (0.61) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641897 0.82 MAPT (0.61) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641871 0.80 MAPT (0.39) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641919 0.80 APP (0.40) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641877 0.76 SNCA (0.48) MAPTMEN1NPC1ALOX15CASP1
SCHEMBL2641861 0.74 RAB9A (0.41) MAPTMEN1NPC1RAB9AKMT2A

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