SCHEMBL13615155

SCHEMBL13615155

CCc1cc(N=Nc2ccc3ccc(SOOO)cc3c2)ccc1N=Nc1ccc(N=Nc2c(SOOO)cc3ccc(NCCS(=O)(=O)O)cc3c2O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.38
ENPP2 Q13822 9/20 0.37
CD40 P25942 1/20 0.34
CD40LG P29965 1/20 0.34
SENP3 Q9H4L4 2/20 0.33
SENP2 Q9HC62 2/20 0.33
SENP1 Q9P0U3 2/20 0.33
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
CYP2C9 P11712 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.30

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
SCHEMBL13615157 0.83 ENPP2 (0.45) PTPN11ENPP2CD40CD40LGSENP3
SCHEMBL13615140 0.79 PTPN11 (0.45) PTPN11ENPP2CD40CD40LGSENP3
SCHEMBL13324338 0.79 PTPN11 (0.41) PTPN11ENPP2CD40CD40LGPHLPP2
SCHEMBL14259354 0.78 PTPN11 (0.37) PTPN11
SCHEMBL13615142 0.78 ENPP2 (0.38) PTPN11ENPP2CD40CD40LG
SCHEMBL14408057 0.78 ENPP2 (0.43) PTPN11ENPP2CD40CD40LGMEN1
SCHEMBL13615187 0.77 ENPP2 (0.43) PTPN11ENPP2CD40CD40LGCYP2C9
SCHEMBL13762807 0.75 PTPN11 (0.37) PTPN11
SCHEMBL13615312 0.74 PTPN11 (0.40) PTPN11ENPP2MEN1KMT2ATDP1
SCHEMBL13921658 0.74 PTPN11 (0.44) PTPN11ENPP2CD40CD40LGSENP3

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