SCHEMBL5328812

SCHEMBL5328812

O=c1[nH][nH]c(=O)n1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.58
SCN2A Q99250 1/20 0.55
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 3/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CES2 O00748 1/20 0.47

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
SCHEMBL517098 0.78 GSK3A (0.52) SCN2ALMNAMAPTMEN1KMT2A
SCHEMBL17172464 0.77 MAPT (0.57) HPNSCN2ALMNATSHRMAPT
SCHEMBL3027634 0.77 GAA (0.47) HPNSCN2ALMNAMAPTMEN1
SCHEMBL23296154 0.76 DDB1 (0.57) HPNSCN2ALMNATSHRMAPT
SCHEMBL6978711 0.75 GAA (0.65) HPNSCN2AMAPTMEN1KMT2A
SCHEMBL10889569 0.75 PDE4A (0.57) HPNSCN2AMAPTMEN1KMT2A
SCHEMBL28074096 0.75 MAPT (0.54) HPNSCN2ALMNATSHRMAPT
SCHEMBL29624296 0.74 HPN (0.49) HPNSCN2ALMNATSHRMAPT
SCHEMBL2029909 0.74 HPN (1.00) HPNSCN2ALMNATSHRMAPT
SCHEMBL30532190 0.74 HPN (1.00) HPNSCN2ALMNATSHRMAPT

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-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed