SCHEMBL13629276

SCHEMBL13629276

COc1cc(N=Nc2ccc3c(OC)cc(S(=O)(=O)O)cc3c2)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N)cc2c1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.64
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PHLPP2 Q6ZVD8 2/20 0.46
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
PTPN1 P18031 2/20 0.44
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP3 Q9H4L4 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL13629218 0.87 ENPP2 (0.64) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL15251153 0.87 ENPP2 (0.58) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13629250 0.86 ENPP2 (0.59) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13629251 0.86 ENPP2 (0.56) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13287479 0.85 ENPP2 (0.57) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13629748 0.84 ENPP2 (0.59) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13629754 0.84 ENPP2 (0.53) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13861359 0.84 ENPP2 (0.55) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL13861165 0.84 ENPP2 (0.58) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL31489889 0.83 ENPP2 (0.63) ENPP2MEN1HTTKMT2APHLPP2

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