SCHEMBL7062973

SCHEMBL7062973

COc1ccc([N+](=O)[O-])c(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
LMNA P02545 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36

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
SCHEMBL7065007 0.91 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5571262 0.89 MAPT (0.42) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5571227 0.86 MAPT (0.42) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7065975 0.85 MAPT (0.39) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7062966 0.85 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7062970 0.85 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7060993 0.82 MAPT (0.42) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7062491 0.82 ALDH1A1 (0.44) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7066074 0.82 MAPT (0.36) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7065013 0.82 ALDH1A1 (0.39) MAPTALDH1A1KMT2AMEN1LMNA

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