SCHEMBL13673617

SCHEMBL13673617

COc1ccc([N+](=O)[O-])cc1/C=N/NC(=N)NO

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
GAA P10253 2/20 0.57
MAPT P10636 10/20 0.55
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
HTT P42858 4/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL13673619 1.00 ALDH1A1 (0.62) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL915919 0.89 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL915920 0.89 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL7748699 0.87 ALDH1A1 (0.63) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL7748695 0.87 ALDH1A1 (0.63) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5570018 0.85 MAPT (0.50) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL5570016 0.85 MAPT (0.50) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL11772226 0.84 MAPT (0.61) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL11772236 0.84 MAPT (0.61) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL915504 0.84 MAPT (0.49) ALDH1A1GAAMAPTKDM4ESMN1; SMN2

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
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 US disclosed
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed