SCHEMBL13629216

SCHEMBL13629216

Nc1cc2c(O)c(N=Nc3ccc(N=Nc4ccc5ccc(S(=O)(=O)O)cc5c4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.54
CD40 P25942 1/20 0.54
CD40LG P29965 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SENP3 Q9H4L4 3/20 0.52
SENP2 Q9HC62 3/20 0.52
SENP1 Q9P0U3 3/20 0.52
SUMO2 P61956 2/20 0.52
SUMO1 P63165 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
HIF1A Q16665 2/20 0.48
PHLPP2 Q6ZVD8 1/20 0.47

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
SCHEMBL13629238 0.93 CD40 (0.53) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL14339178 0.93 ENPP2 (0.48) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL5177418 0.92 CD40 (0.57) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL8946989 0.92 CD40 (0.57) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL29635262 0.92 CD40 (0.57) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL9332169 0.92 CD40 (0.57) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL9332175 0.92 CD40 (0.57) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL28389935 0.91 CD40 (0.56) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL13629217 0.91 ATIC (0.54) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL9331595 0.90 SENP3 (0.56) ENPP2CD40CD40LGMEN1KMT2A

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 3 patents. 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
US-20090040609-A1 COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-02-12 US disclosed
EP-1881349-A1 COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING DEVICE Mitsubishi Chemical Corporation (JP) 2008-01-23 EP disclosed