SCHEMBL4698071

SCHEMBL4698071

NC(=Nc1ccccc1)NN=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 8/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
POLB P06746 3/20 0.55
ALDH1A1 P00352 3/20 0.55
AGTR1 P30556 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52

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
SCHEMBL1520677 0.85 MAPT (0.59) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL1520681 0.85 MAPT (0.59) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL4697628 0.84 MAPT (0.61) NPC1LMNAMAPTKMT2AMEN1
Water SCHEMBL6576232 0.84 MAPT (0.58) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL4699409 0.81 KMT2A (0.51) NPC1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7750438 0.81 MAPT (0.60) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL7750442 0.81 MAPT (0.60) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL13611411 0.81 MAPT (0.70) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL4701029 0.80 HTT (0.50) NPC1LMNAMAPTKMT2AMEN1
SCHEMBL15917497 0.79 MAPT (0.80) NPC1LMNAMAPTKMT2AMEN1

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 3 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
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed