SCHEMBL13629248

SCHEMBL13629248

Cc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OCC(O)CO)cc1N=Nc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.46
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CD40 P25942 1/20 0.35
CD40LG P29965 1/20 0.35
PHLPP2 Q6ZVD8 3/20 0.34
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
PRMT3 O60678 1/20 0.33
EP300 Q09472 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
SENP2 Q9HC62 1/20 0.33

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
SCHEMBL13629257 0.94 ENPP2 (0.44) ENPP2MEN1HTTKMT2ACA2
SCHEMBL13936095 0.90 ENPP2 (0.46) ENPP2MEN1HTTKMT2ACA2
SCHEMBL13629249 0.83 ENPP2 (0.43) ENPP2MEN1HTTKMT2ACA2
SCHEMBL13629239 0.82 ENPP2 (0.52) ENPP2MEN1HTTKMT2ACA2
SCHEMBL13629749 0.82 PTPN11 (0.44) ENPP2MEN1HTTKMT2ACD40
SCHEMBL14351157 0.81 ENPP2 (0.53) ENPP2MEN1HTTKMT2ACD40
SCHEMBL13921664 0.81 ENPP2 (0.38) ENPP2MEN1HTTKMT2ACA2
SCHEMBL13629751 0.80 PTPN11 (0.42) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13921670 0.80 ENPP2 (0.38) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13615133 0.80 PTPN11 (0.41) ENPP2MEN1HTTKMT2ASUMO2

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-20090275742-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-05 US disclosed
EP-1867684-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT Mitsubishi Chemical Corporation (JP) 2007-12-19 EP disclosed