SCHEMBL13629246

SCHEMBL13629246

CC(=O)Nc1cc(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c(C)cc1/N=N/c1ccc2c(S(=O)(=O)O)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.53
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CD40 P25942 1/20 0.46
CD40LG P29965 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATIC P31939 1/20 0.43
PRMT3 O60678 1/20 0.43
EP300 Q09472 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 2/20 0.42
SENP3 Q9H4L4 2/20 0.41
SENP2 Q9HC62 2/20 0.41
SENP1 Q9P0U3 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13629235 0.92 ENPP2 (0.56) ENPP2CA2CA3CD40CD40LG
SCHEMBL14339200 0.89 CA2 (0.54) ENPP2CA2CA3CD40CD40LG
SCHEMBL13629217 0.88 ATIC (0.54) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL13615163 0.87 ENPP2 (0.45) ENPP2CA2CA3CD40CD40LG
SCHEMBL9332347 0.81 ENPP2 (0.53) ENPP2CA2CA3CD40CD40LG
SCHEMBL9332335 0.81 ENPP2 (0.53) ENPP2CA2CA3CD40CD40LG
SCHEMBL9331586 0.81 SENP3 (0.56) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL9331595 0.81 SENP3 (0.56) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL13629250 0.81 ENPP2 (0.59) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL9332206 0.81 ALDH1A1 (0.59) 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 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