SCHEMBL13674686

SCHEMBL13674686

NC(=NO)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MAOB P27338 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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 0.86 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1520681 0.86 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
Water SCHEMBL6576232 0.85 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31317782 0.80 MAPT (0.73) MAPTMAOBCTDSP1SMN1; SMN2HTT
Acetic Acid SCHEMBL13673558 0.77 MAPT (0.47) MAPTMAOBCTDSP1SMN1; SMN2CYP3A4
Acetic Acid SCHEMBL13673562 0.77 MAPT (0.47) MAPTMAOBCTDSP1SMN1; SMN2CYP3A4
Acetic Acid SCHEMBL915670 0.76 MAPT (0.46) MAPTMAOBCTDSP1SMN1; SMN2CYP3A4
Acetic Acid SCHEMBL915671 0.76 MAPT (0.46) MAPTMAOBCTDSP1SMN1; SMN2CYP3A4
SCHEMBL13673547 0.76 HTT (0.53) MAPTMAOBHTTNPC1RAB9A
SCHEMBL13673660 0.76 HTT (0.74) MAPTSMN1; SMN2HTTNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed