SCHEMBL4699409

SCHEMBL4699409

NC(=Nc1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 1/20 0.51
HTT P42858 3/20 0.48
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CCR6 P51684 1/20 0.47
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADORA2A P29274 1/20 0.45
MAOB P27338 1/20 0.44
CYP2D6 P10635 1/20 0.43
DUSP3 P51452 2/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4701029 0.85 HTT (0.50) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL13673547 0.84 HTT (0.53) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL4701663 0.83 MAPT (0.54) KMT2AMEN1ALDH1A1GAAHTT
Hydrochloric Acid SCHEMBL915077 0.83 HTT (0.52) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL4698071 0.81 NPC1 (0.61) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL7747067 0.80 HTT (0.54) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL7747069 0.80 HTT (0.54) KMT2AMEN1ALDH1A1GAAHTT
Acetic Acid SCHEMBL914888 0.78 KMT2A (0.51) KMT2AMEN1ALDH1A1GAAHTT
Acetic Acid SCHEMBL914887 0.78 KMT2A (0.51) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL4699404 0.77 KMT2A (0.57) KMT2AMEN1ALDH1A1GAAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed