SCHEMBL2641871

SCHEMBL2641871

CN(C(=O)O)c1ccc(/C=C/c2ccnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
BACE1 P56817 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
S1PR1 P21453 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HBB P68871 1/20 0.38

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
SCHEMBL2641844 0.85 MAPT (0.54) MAPTNPC1RAB9ABACE1SMN1; SMN2
SCHEMBL2641848 0.85 MAPT (0.54) MAPTNPC1RAB9ABACE1SMN1; SMN2
SCHEMBL12186023 0.83 PAX8 (0.38) MAPTNPC1RAB9ABACE1SMN1; SMN2
SCHEMBL2641830 0.83 BACE1 (0.40) MAPTNPC1RAB9ABACE1SMN1; SMN2
SCHEMBL2641772 0.80 NR3C1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641813 0.80 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641910 0.80 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641868 0.80 HDAC1 (0.58) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641940 0.79 SNCA (0.42) MAPTBACE1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2641783 0.78 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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