SCHEMBL7060993

SCHEMBL7060993

COc1cc([N+](=O)[O-])cc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 3/20 0.38
ERN1 O75460 1/20 0.36
GFER P55789 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL7062491 0.89 ALDH1A1 (0.44) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7060986 0.84 MAPT (0.40) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7060989 0.84 MAPT (0.40) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7066729 0.83 ALDH1A1 (0.53) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5571262 0.83 MAPT (0.42) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7062973 0.82 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7066419 0.82 ALDH1A1 (0.40) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7062256 0.82 ALDH1A1 (0.41) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL915958 0.82 ALDH1A1 (0.44) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5571227 0.82 MAPT (0.42) MAPTCYP2C9CYP2C19CYP1A2CYP3A4

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