SCHEMBL13615134

SCHEMBL13615134

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc5c(S(=O)(=O)O)cccc5c4)c4ccc(OCC(O)CO)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.40
PTPN11 Q06124 1/20 0.37
ENPP2 Q13822 8/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SENP2 Q9HC62 4/20 0.33
SENP1 Q9P0U3 3/20 0.33
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
SUMO2 P61956 2/20 0.32
SUMO1 P63165 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP3 Q9H4L4 2/20 0.32
CD40 P25942 1/20 0.31
CD40LG P29965 1/20 0.31

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
SCHEMBL13615241 0.90 MEN1 (0.38) PTPN11ENPP2MEN1THRBKMT2A
SCHEMBL13615256 0.89 ENPP2 (0.40) PTPN11ENPP2MEN1THRBKMT2A
SCHEMBL13615147 0.87 ATIC (0.51) ATICPTPN11ENPP2MEN1THRB
SCHEMBL13615135 0.86 ATIC (0.47) ATICPTPN11ENPP2MEN1THRB
SCHEMBL13615139 0.85 MEN1 (0.46) ATICPTPN11ENPP2MEN1THRB
SCHEMBL12568508 0.82 PTPN11 (0.40) PTPN11ENPP2SENP2SENP1PHLPP2
SCHEMBL13615173 0.82 GLO1 (0.41) ATICPTPN11ENPP2MEN1THRB
SCHEMBL13921670 0.81 ENPP2 (0.38) ATICPTPN11ENPP2MEN1KMT2A
SCHEMBL13615268 0.81 CYP2C9 (0.39) PTPN11ENPP2MEN1THRBKMT2A
SCHEMBL12568493 0.81 PTPN11 (0.38) ATICPTPN11ENPP2MEN1KMT2A

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-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