SCHEMBL7747086

SCHEMBL7747086

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.44
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL7747084 1.00 MEN1 (0.58) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7747580 0.87 ALDH1A1 (0.74) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7747583 0.87 ALDH1A1 (0.74) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL13674722 0.85 MEN1 (0.50) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL13674723 0.85 MEN1 (0.56) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL13674721 0.85 MEN1 (0.50) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7746961 0.83 ALDH1A1 (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7746964 0.83 ALDH1A1 (0.52) MEN1KMT2AGAAALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL21519394 0.82 ALDH1A1 (0.66) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL21538116 0.80 MEN1 (0.47) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed