SCHEMBL13629282

SCHEMBL13629282

NC(=O)c1cccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.49
CD40LG P29965 1/20 0.49
ENPP2 Q13822 9/20 0.49
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SENP3 Q9H4L4 4/20 0.48
SENP2 Q9HC62 4/20 0.48
SENP1 Q9P0U3 4/20 0.48
SUMO2 P61956 2/20 0.48
SUMO1 P63165 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA2 P00918 1/20 0.43

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
SCHEMBL13629543 0.93 ENPP2 (0.51) CD40CD40LGENPP2MEN1THRB
SCHEMBL13629259 0.91 CD40 (0.52) CD40CD40LGENPP2MEN1THRB
SCHEMBL9331586 0.91 SENP3 (0.56) CD40CD40LGENPP2MEN1THRB
SCHEMBL9331595 0.91 SENP3 (0.56) CD40CD40LGENPP2MEN1THRB
SCHEMBL13615218 0.89 MEN1 (0.42) CD40CD40LGENPP2MEN1THRB
SCHEMBL13629217 0.88 ATIC (0.54) CD40CD40LGENPP2MEN1THRB
SCHEMBL9332175 0.87 CD40 (0.57) CD40CD40LGENPP2MEN1THRB
SCHEMBL9332169 0.87 CD40 (0.57) CD40CD40LGENPP2MEN1THRB
SCHEMBL29635262 0.87 CD40 (0.57) CD40CD40LGENPP2MEN1THRB
SCHEMBL8946989 0.87 CD40 (0.57) CD40CD40LGENPP2MEN1THRB

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