SCHEMBL2641848

SCHEMBL2641848

CN(C)c1ccc(C=Cc2ccnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
CASP1 P29466 2/20 0.54
RAB9A P51151 2/20 0.54
HBB P68871 2/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
RELA Q04206 1/20 0.45
S100A4 P26447 1/20 0.45
INSR P06213 1/20 0.44
APP P05067 4/20 0.44
JAK2 O60674 1/20 0.44
MITF O75030 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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 1.00 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2641871 0.85 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2641858 0.81 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2641851 0.81 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12186023 0.79 PAX8 (0.38) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9000524 0.78 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29905719 0.78 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6498639 0.77 RELA (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6498636 0.77 RELA (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27898404 0.76 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2NPC1

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