SCHEMBL7065007

SCHEMBL7065007

COc1ccc([N+](=O)[O-])c(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
GFER P55789 1/20 0.39
ALDH1A1 P00352 10/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 7/20 0.35

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
SCHEMBL7062973 0.91 MAPT (0.43) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL7066074 0.88 MAPT (0.36) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7065013 0.88 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5571262 0.88 MAPT (0.42) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL7064848 0.86 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7065975 0.86 MAPT (0.39) MAPTALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7065004 0.84 MAPT (0.43) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL7064999 0.84 MAPT (0.43) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL5571227 0.83 MAPT (0.42) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL7065577 0.83 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP claimed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO claimed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO disclosed