SCHEMBL13629446

SCHEMBL13629446

Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4cnc5c(S(=O)(=O)O)cccc5c4)c4ccc(C(=O)O)nc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.42
ATIC P31939 1/20 0.38
CD40 P25942 1/20 0.38
CD40LG P29965 1/20 0.38
PRMT3 O60678 1/20 0.37
EP300 Q09472 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.37
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
DNASE1L3 Q13609 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
PHLPP2 Q6ZVD8 2/20 0.36
MEN1 O00255 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
SCHEMBL13615324 0.87 PTPN11 (0.37) ENPP2ATICCD40CD40LGCYP1A2
SCHEMBL13629444 0.86 ENPP2 (0.45) ENPP2CD40CD40LGCYP1A2ALDH1A1
SCHEMBL14339271 0.86 ATIC (0.36) ENPP2ATICCD40CD40LGCYP1A2
SCHEMBL13629445 0.86 CYP1A2 (0.47) ENPP2ATICCD40CD40LGCYP1A2
SCHEMBL13935731 0.84 ENPP2 (0.43) ENPP2CD40CD40LGCYP1A2ALDH1A1
SCHEMBL13934929 0.84 ENPP2 (0.43) ENPP2CD40CD40LGCYP1A2ALDH1A1
SCHEMBL13936084 0.84 ATIC (0.39) ENPP2ATICPRMT1CYP1A2ALDH1A1
SCHEMBL13629430 0.80 ATIC (0.51) ENPP2ATICCD40CD40LGCYP1A2
SCHEMBL13615328 0.79 PTPN11 (0.41) ENPP2CD40CD40LGSENP2SENP1
SCHEMBL13629244 0.77 ATIC (0.61) ENPP2ATICCD40CD40LGCYP1A2

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