SCHEMBL13629219

SCHEMBL13629219

Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4ccc5c(S(=O)(=O)O)cccc5c4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.54
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ENPP2 Q13822 9/20 0.51
CYP1A2 P05177 3/20 0.49
HIF1A Q16665 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SENP3 Q9H4L4 2/20 0.48
SENP2 Q9HC62 2/20 0.48
SENP1 Q9P0U3 2/20 0.48
SUMO2 P61956 1/20 0.48
SUMO1 P63165 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CD40 P25942 1/20 0.48
CD40LG P29965 1/20 0.48
CYP2C9 P11712 3/20 0.48
MAPK1 P28482 1/20 0.48
DNASE1L3 Q13609 1/20 0.48

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
SCHEMBL13629217 0.91 ATIC (0.54) ATICMEN1THRBKMT2ATDP1
SCHEMBL7591307 0.90 CD40 (0.55) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL9331800 0.90 CD40 (0.55) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL8954926 0.88 ENPP2 (0.51) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL8954920 0.88 ENPP2 (0.51) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL13615136 0.87 ATIC (0.47) ATICMEN1THRBKMT2ATDP1
SCHEMBL13936093 0.87 ATIC (0.54) ATICMEN1THRBKMT2ATDP1
SCHEMBL9331711 0.86 MEN1 (0.54) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL7583791 0.86 MEN1 (0.54) MEN1THRBKMT2ATDP1ENPP2
SCHEMBL9331723 0.86 MEN1 (0.54) MEN1THRBKMT2ATDP1ENPP2

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