SCHEMBL13615172

SCHEMBL13615172

COc1cc(/N=N/c2ccc3c(SOOO)cccc3c2)c(NC(C)=O)cc1/N=N/c1ccc(/N=N/c2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.46
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.37
CD40 P25942 1/20 0.36
CD40LG P29965 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
SENP3 Q9H4L4 2/20 0.35
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

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
SCHEMBL13615163 0.93 ENPP2 (0.45) ENPP2CA2CA3CD40CD40LG
SCHEMBL13629235 0.88 ENPP2 (0.56) ENPP2CA2CA3PHLPP2CD40
SCHEMBL13615139 0.84 MEN1 (0.46) ENPP2PHLPP2CD40CD40LGMEN1
SCHEMBL13615169 0.82 ENPP2 (0.46) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615166 0.82 CYP1A2 (0.39) ENPP2CD40CD40LGMEN1THRB
SCHEMBL13615173 0.82 GLO1 (0.41) ENPP2PHLPP2CD40CD40LGMEN1
SCHEMBL13615191 0.82 CYP1A2 (0.48) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL13615109 0.81 PTPN11 (0.47) ENPP2MEN1THRBKMT2ATDP1
SCHEMBL4401276 0.81 ENPP2 (0.44) ENPP2CA2CA3PHLPP2CD40
SCHEMBL13615254 0.81 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGMEN1

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