SCHEMBL13629250

SCHEMBL13629250

COc1cc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2)c(C)cc1N=Nc1cc(OC)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.59
PHLPP2 Q6ZVD8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.41
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP3 Q9H4L4 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
ATIC P31939 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CD40 P25942 1/20 0.40
CD40LG P29965 1/20 0.40
PTPN1 P18031 2/20 0.40

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
SCHEMBL13861359 0.90 ENPP2 (0.55) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13629251 0.88 ENPP2 (0.56) ENPP2PHLPP2ALDH1A1HIF1ASUMO2
SCHEMBL15251153 0.86 ENPP2 (0.58) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13629276 0.86 ENPP2 (0.64) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13629235 0.85 ENPP2 (0.56) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13287479 0.84 ENPP2 (0.57) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13629217 0.84 ATIC (0.54) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13615160 0.84 ENPP2 (0.44) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13629218 0.83 ENPP2 (0.64) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2
SCHEMBL13861335 0.81 ENPP2 (0.54) ENPP2PHLPP2ALDH1A1HIF1ACYP1A2

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