SCHEMBL7066074

SCHEMBL7066074

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
ALDH1A1 P00352 7/20 0.34
LMNA P02545 7/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 3/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 2/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7065013 0.88 ALDH1A1 (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7065007 0.88 MAPT (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7064848 0.86 ALDH1A1 (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7065975 0.86 MAPT (0.39) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7066070 0.83 CYP2D6 (0.35) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7066071 0.83 CYP2D6 (0.35) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7065577 0.83 ALDH1A1 (0.37) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7062996 0.82 MAPT (0.38) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7062973 0.82 MAPT (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5571262 0.81 MAPT (0.42) MAPTALDH1A1LMNAKMT2AMEN1

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