SCHEMBL4700007

SCHEMBL4700007

N=C(NCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
HTT P42858 1/20 0.57
ALDH1A1 P00352 5/20 0.56
CTDSP1 Q9GZU7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALPG P10696 1/20 0.53
MAOB P27338 1/20 0.52
PTPN1 P18031 1/20 0.52
PTGES O14684 1/20 0.52
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4700187 1.00 MAPT (0.60) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4699516 0.88 MAPT (0.74) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4699811 0.88 MAPT (0.74) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL19449716 0.83 CTDSP1 (0.71) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4699223 0.82 MIF (0.56) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4699217 0.82 MIF (0.56) MAPTMEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL17560817 0.81 CTDSP1 (0.69) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4702924 0.76 LMNA (0.53) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4700011 0.76 MAPT (0.59) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL29662955 0.75 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1CTDSP1

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