SCHEMBL7065013

SCHEMBL7065013

Cc1ccc(S(=O)(=O)ON(N=Cc2c([N+](=O)[O-])ccc(Cl)c2[N+](=O)[O-])C(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
MAPT P10636 9/20 0.39
LMNA P02545 6/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
VCAM1 P19320 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 2/20 0.34
THRB P10828 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7065577 0.95 ALDH1A1 (0.37) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7064848 0.94 ALDH1A1 (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7065007 0.88 MAPT (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7066074 0.88 MAPT (0.36) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7065975 0.86 MAPT (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7066015 0.83 KMT2A (0.38) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7062891 0.83 MAPT (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7062888 0.83 MAPT (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7066729 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7062996 0.82 MAPT (0.38) ALDH1A1MAPTLMNAKMT2AMEN1

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 2 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 disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO disclosed