SCHEMBL17280474

SCHEMBL17280474

COc1cc(C(=O)Nc2ccc3c(O)c(N=Nc4cc(C)c(N=Nc5ccc(N=Nc6ccc(N=Nc7cc8c(S(=O)(=O)O)cccc8cc7S(=O)(=O)O)c(C)c6)c(C)c5)cc4C)ccc3c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.56
CD40 P25942 1/20 0.41
CD40LG P29965 1/20 0.41
SENP7 Q9BQF6 2/20 0.40
NPC1 O15118 1/20 0.40
NQO2 P16083 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
AURKB Q96GD4 1/20 0.39
ATIC P31939 2/20 0.38
SUMO2 P61956 1/20 0.37
SUMO1 P63165 1/20 0.37
SENP2 Q9HC62 1/20 0.37

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
SCHEMBL17280473 0.89 ENPP2 (0.50) ENPP2CD40CD40LGATIC
SCHEMBL15935125 0.89 ENPP2 (0.55) ENPP2CD40CD40LGSENP7ATIC
SCHEMBL15935140 0.89 ENPP2 (0.54) ENPP2CD40CD40LGSENP7ATIC
SCHEMBL15935114 0.88 ENPP2 (0.58) ENPP2CD40CD40LGATIC
SCHEMBL17460875 0.88 ATIC (0.46) ENPP2SENP7NPC1RAB9AATIC
SCHEMBL17280472 0.87 ENPP2 (0.50) ENPP2CD40CD40LGSENP7ATIC
SCHEMBL17280470 0.85 ENPP2 (0.49) ENPP2CD40CD40LGSENP7NPC1
SCHEMBL17280471 0.84 ENPP2 (0.52) ENPP2CD40CD40LG
SCHEMBL12169202 0.83 ENPP2 (0.53) ENPP2CD40CD40LGSENP7ATIC
SCHEMBL12169200 0.83 ENPP2 (0.54) ENPP2CD40CD40LGSENP7ATIC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9341747-B2 Azo compound and salt thereof, and dye-based polarizing film and polarizing plate containing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-05-17 US disclosed
US-20150337134-A1 Azo Compound And Salt Thereof, And Dye-Based Polarizing Film And Polarizing Plate Containing The Same NIPPON KAYAKU KK (JP) 2015-11-26 US disclosed