SCHEMBL7062491

SCHEMBL7062491

COc1ccc([N+](=O)[O-])cc1C=NN(OS(=O)(=O)c1ccc(C)cc1)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CCR5 P51681 1/20 0.40
GFER P55789 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 1/20 0.39
FLT3 P36888 2/20 0.38

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
SCHEMBL7060993 0.89 MAPT (0.42) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7066729 0.89 ALDH1A1 (0.53) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7062256 0.88 ALDH1A1 (0.41) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7062930 0.86 ALDH1A1 (0.39) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7062486 0.84 GAA (0.42) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7062488 0.84 GAA (0.42) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7066010 0.83 GRIN2D (0.41) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7065007 0.83 MAPT (0.43) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL7066486 0.82 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7062973 0.82 MAPT (0.43) ALDH1A1MAPTCYP2C9CYP2C19MEN1

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