SCHEMBL4701658

SCHEMBL4701658

CNC(=N)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MAPT P10636 8/20 0.54
ALDH1A1 P00352 7/20 0.54
HTT P42858 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 7/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 6/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.42
CCR6 P51684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PHGDH O43175 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 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
SCHEMBL4701661 1.00 KMT2A (0.54) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL13673546 0.88 KMT2A (0.52) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL13673545 0.88 KMT2A (0.52) KMT2AMAPTALDH1A1HTTTDP1
Hydrochloric Acid SCHEMBL915076 0.87 KMT2A (0.51) KMT2AMAPTALDH1A1HTTTDP1
Hydrochloric Acid SCHEMBL915075 0.87 KMT2A (0.51) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL914890 0.84 MAPT (0.49) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL7747067 0.84 HTT (0.54) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL7747069 0.84 HTT (0.54) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL4698000 0.84 HTT (0.48) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL4698001 0.84 HTT (0.48) KMT2AMAPTALDH1A1HTTTDP1

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