SCHEMBL2641783

SCHEMBL2641783

CN(C(=O)O)c1ccc(/C=C/c2cccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 11/20 0.41
KMT2A Q03164 11/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.39
LMNA P02545 5/20 0.39
MAPK1 P28482 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR1 P21453 1/20 0.39
CCR6 P51684 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PIM1 P11309 1/20 0.39
HTT P42858 2/20 0.39
APP P05067 2/20 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
SCHEMBL2641796 0.86 MAPT (0.51) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641800 0.86 MAPT (0.51) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL12186010 0.84 PAX8 (0.41) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641861 0.80 RAB9A (0.41) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641930 0.80 RAB9A (0.41) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641792 0.80 EGFR (0.43) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641896 0.80 RAB9A (0.41) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2641830 0.79 BACE1 (0.40) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2641871 0.78 MAPT (0.39) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL11479535 0.76 NFE2L2 (0.57) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1

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