SCHEMBL4698069

SCHEMBL4698069

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
LMNA P02545 3/20 0.61
SENP1 Q9P0U3 1/20 0.60
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
MAPT P10636 9/20 0.58
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 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
POLB P06746 2/20 0.53
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
SCHEMBL6026248 1.00 NPC1 (0.61) NPC1LMNASENP1KMT2AMEN1
SCHEMBL19449726 0.88 MAPT (0.63) NPC1LMNASENP1KMT2AMEN1
Hydrochloric Acid SCHEMBL17560997 0.87 MAPT (0.62) NPC1LMNASENP1KMT2AMEN1
SCHEMBL1520678 0.85 MAPT (0.62) NPC1LMNASENP1KMT2AMEN1
SCHEMBL4697625 0.84 MAPT (0.61) NPC1LMNASENP1KMT2AMEN1
SCHEMBL4698431 0.84 MAPT (0.61) NPC1LMNASENP1KMT2AMEN1
SCHEMBL4699407 0.81 KMT2A (0.57) NPC1LMNAKMT2AMEN1MAPT
SCHEMBL4699404 0.81 KMT2A (0.57) NPC1LMNAKMT2AMEN1MAPT
SCHEMBL7750442 0.81 MAPT (0.60) NPC1LMNASENP1KMT2AMEN1
SCHEMBL7750438 0.81 MAPT (0.60) NPC1LMNASENP1KMT2AMEN1

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