SCHEMBL13629436

SCHEMBL13629436

Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4ccc(C(F)(F)F)cc4)c4ccc(S(=O)(=O)O)cc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ENPP2 Q13822 8/20 0.51
CD40 P25942 1/20 0.50
CD40LG P29965 1/20 0.50
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SENP3 Q9H4L4 3/20 0.48
SENP2 Q9HC62 3/20 0.48
SENP1 Q9P0U3 3/20 0.48
SUMO2 P61956 2/20 0.48
SUMO1 P63165 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
PHLPP2 Q6ZVD8 1/20 0.48
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL5177418 0.92 CD40 (0.57) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL8946989 0.92 CD40 (0.57) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL29635262 0.92 CD40 (0.57) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL9332169 0.92 CD40 (0.57) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL9332175 0.92 CD40 (0.57) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL13629438 0.92 MEN1 (0.48) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL28389935 0.91 CD40 (0.56) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL13629269 0.91 CYP2C9 (0.55) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL14327569 0.89 CYP2C9 (0.53) CYP2C9CYP2C19HSD17B10ENPP2CD40
SCHEMBL15127525 0.89 ALDH1A1 (0.55) CYP2C9CYP2C19HSD17B10ENPP2CD40

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-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
EP-1867684-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT Mitsubishi Chemical Corporation (JP) 2007-12-19 EP disclosed