SCHEMBL7062996

SCHEMBL7062996

Cc1ccc(S(=O)(=O)ON(N=Cc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C(=N)N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
ALDH1A1 P00352 11/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 5/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL7065975 0.90 MAPT (0.39) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7064848 0.84 ALDH1A1 (0.39) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7065007 0.82 MAPT (0.43) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL7066074 0.82 MAPT (0.36) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7065013 0.82 ALDH1A1 (0.39) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7062990 0.82 TSHR (0.39) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7062992 0.82 TSHR (0.39) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7066015 0.82 KMT2A (0.38) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7065577 0.81 ALDH1A1 (0.37) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL7062984 0.81 MAPT (0.33) MAPTALDH1A1NPSR1HTTLMNA

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