SCHEMBL2641785

SCHEMBL2641785

CN(C)c1ccc(/C=C/c2cccnc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
SNCA P37840 4/20 0.49
APP P05067 5/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CASP1 P29466 2/20 0.46
HBB P68871 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
RELA Q04206 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
INSR P06213 1/20 0.42
S100A4 P26447 1/20 0.42
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL2641790 1.00 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL2641940 0.86 SNCA (0.42) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL8561733 0.83 TAAR1 (0.47) MAPTALDH1A1SNCAMEN1KMT2A
SCHEMBL12185978 0.81 SNCA (0.39) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL7749765 0.79 NPC1 (0.38) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9785599 0.77 RELA (0.59) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL27882977 0.77 APP (0.55) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL12185951 0.77 APP (0.56) MAPTSMN1; SMN2ALDH1A1LMNASNCA
SCHEMBL2641844 0.76 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAAPP
SCHEMBL2641848 0.76 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAAPP

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 3 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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed