SCHEMBL19628869

SCHEMBL19628869

Cc1cc(/N=N/c2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)c(/N=N/c4ccc(NC(=O)CCOCCC(=O)O)cc4[N+](=O)[O-])c(O)c3c2N)ccc1/N=N/c1ccc(OC=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.39
CD40 P25942 1/20 0.35
CD40LG P29965 1/20 0.35
SENP2 Q9HC62 2/20 0.34
SENP1 Q9P0U3 2/20 0.34
SUMO2 P61956 1/20 0.34
SUMO1 P63165 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP3 Q9H4L4 1/20 0.34
PHLPP2 Q6ZVD8 2/20 0.33
SLC7A11 Q9UPY5 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19628865 0.93 ENPP2 (0.40) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL17778370 0.92 ENPP2 (0.38) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL19628866 0.90 ENPP2 (0.39) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL17778363 0.89 ENPP2 (0.43) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL19628864 0.88 ENPP2 (0.39) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL17778367 0.86 ENPP2 (0.40) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL19628868 0.85 ENPP2 (0.37) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL17778345 0.84 ENPP2 (0.39) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL19628867 0.81 ENPP2 (0.45) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778346 0.79 ENPP2 (0.41) ENPP2CD40CD40LGSENP2SENP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170335110-A1 Black Trisazo Dyes, Their Preparation And Their Use LANXESS DEUTSCHLAND GMBH (DE) 2017-11-23 US disclosed