SCHEMBL13629235

SCHEMBL13629235

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.56
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT3 O60678 1/20 0.41
EP300 Q09472 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
ATIC P31939 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL13629246 0.92 ENPP2 (0.53) ENPP2CA2CA3CD40CD40LG
SCHEMBL13615172 0.88 ENPP2 (0.46) ENPP2CA2CA3CD40CD40LG
SCHEMBL13629217 0.85 ATIC (0.54) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13629250 0.85 ENPP2 (0.59) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL14339200 0.82 CA2 (0.54) ENPP2CA2CA3CD40CD40LG
SCHEMBL13615163 0.81 ENPP2 (0.45) ENPP2CA2CA3CD40CD40LG
SCHEMBL13629251 0.80 ENPP2 (0.56) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13629218 0.80 ENPP2 (0.64) ENPP2CA2CA3CD40CD40LG
SCHEMBL9180969 0.79 ENPP2 (0.49) ENPP2PHLPP2MEN1THRBKMT2A
SCHEMBL9331595 0.79 SENP3 (0.56) ENPP2CD40CD40LGPHLPP2MEN1

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