SCHEMBL19628868

SCHEMBL19628868

Cc1cc(/N=N/c2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)c(/N=N/c4ccc(NC(=O)CCOC=O)cc4[N+](=O)[O-])c(O)c3c2N)ccc1/N=N/c1cccc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.37
SENP2 Q9HC62 2/20 0.35
SENP1 Q9P0U3 2/20 0.35
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP3 Q9H4L4 1/20 0.35
PHLPP2 Q6ZVD8 2/20 0.34
CD40 P25942 1/20 0.33
CD40LG P29965 1/20 0.33
CYP1A2 P05177 1/20 0.33
PRMT3 O60678 1/20 0.32
EP300 Q09472 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 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
SCHEMBL19628864 0.92 ENPP2 (0.39) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL19628866 0.92 ENPP2 (0.39) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778345 0.92 ENPP2 (0.39) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL19628865 0.91 ENPP2 (0.40) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778370 0.87 ENPP2 (0.38) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778367 0.86 ENPP2 (0.40) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778363 0.86 ENPP2 (0.43) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL19628869 0.85 ENPP2 (0.39) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778368 0.85 SENP2 (0.45) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL17778346 0.76 ENPP2 (0.41) ENPP2SENP2SENP1SUMO2SUMO1

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