SCHEMBL13629236

SCHEMBL13629236

Nc1cc2c(O)c(/N=N/c3cc(O)c(/N=N/c4ccc5c(S(=O)(=O)O)cccc5c4)cc3Cl)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.51
ENPP2 Q13822 9/20 0.45
PHLPP2 Q6ZVD8 2/20 0.42
CYP1A2 P05177 3/20 0.41
CD40 P25942 1/20 0.41
CD40LG P29965 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
DNASE1L3 Q13609 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 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
SCHEMBL13629237 0.93 ATIC (0.49) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629244 0.86 ATIC (0.61) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629243 0.83 ATIC (0.55) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629247 0.83 ATIC (0.55) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL14339197 0.83 ATIC (0.61) ATICENPP2CYP1A2SENP2SENP1
SCHEMBL13615164 0.83 PTPN11 (0.38) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629217 0.83 ATIC (0.54) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629430 0.80 ATIC (0.51) ATICENPP2PHLPP2CYP1A2CD40
SCHEMBL13629251 0.79 ENPP2 (0.56) ATICENPP2PHLPP2CD40CD40LG
SCHEMBL13615166 0.78 CYP1A2 (0.39) ATICENPP2CYP1A2CD40CD40LG

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