SCHEMBL4701663

SCHEMBL4701663

CN=C(N)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KMT2A Q03164 8/20 0.54
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 5/20 0.54
HTT P42858 4/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 6/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 8/20 0.46
MAOB P27338 1/20 0.45
LMNA P02545 2/20 0.43
CCR6 P51684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PHGDH O43175 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
SCHEMBL13673547 0.88 HTT (0.53) MAPTKMT2AALDH1A1TDP1HTT
Hydrochloric Acid SCHEMBL915077 0.87 HTT (0.52) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL7747067 0.84 HTT (0.54) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL7747069 0.84 HTT (0.54) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL4698002 0.84 HTT (0.54) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL4699409 0.83 KMT2A (0.51) MAPTKMT2AALDH1A1TDP1HTT
Acetic Acid SCHEMBL914888 0.81 KMT2A (0.51) MAPTKMT2AALDH1A1TDP1HTT
Acetic Acid SCHEMBL914887 0.81 KMT2A (0.51) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL4701658 0.80 KMT2A (0.54) MAPTKMT2AALDH1A1TDP1HTT
SCHEMBL4701661 0.80 KMT2A (0.54) MAPTKMT2AALDH1A1TDP1HTT

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