SCHEMBL13673530

SCHEMBL13673530

N=C(NO)NN=Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL13673529 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL13673722 0.91 MAPT (0.43) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL13673721 0.91 MAPT (0.43) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL914897 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL914899 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL7746964 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL7746961 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL13674722 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL13674721 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL13673509 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AGAACYP1A2

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