SCHEMBL2641796

SCHEMBL2641796

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
RAB9A P51151 5/20 0.51
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RELA Q04206 1/20 0.46
NPC1 O15118 4/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 2/20 0.44
ALOX15 P16050 1/20 0.44
MAT2A P31153 1/20 0.43
KCNH2 Q12809 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL2641800 1.00 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641783 0.86 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL11479540 0.81 NFE2L2 (0.57) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL11479535 0.81 NFE2L2 (0.57) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL12186010 0.80 PAX8 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL9000446 0.76 KMT2A (0.41) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641858 0.75 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641851 0.75 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641832 0.75 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2641926 0.75 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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