SCHEMBL4699516

SCHEMBL4699516

N=C(NCCc1ccccc1)NN=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 3/20 0.54
CTDSP1 Q9GZU7 1/20 0.52
MAOB P27338 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAOA P21397 1/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGES O14684 1/20 0.50
MAPK1 P28482 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
SCHEMBL4699811 1.00 MAPT (0.74) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4700187 0.88 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4700007 0.88 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19449716 0.81 CTDSP1 (0.71) MAPTMEN1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL17560817 0.79 CTDSP1 (0.69) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4701009 0.79 KMT2A (0.74) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4701004 0.79 KMT2A (0.74) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4698438 0.77 LMNA (0.51) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4699521 0.77 MAPT (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4700011 0.74 MAPT (0.59) MAPTMEN1KMT2ANPC1RAB9A

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