SCHEMBL13615241

SCHEMBL13615241

Nc1cc2c(O)c(/N=N/c3ccc(/N=N/c4cccc(OCC(O)CO)c4)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SENP3 Q9H4L4 4/20 0.38
SENP2 Q9HC62 4/20 0.38
SENP1 Q9P0U3 4/20 0.38
SUMO2 P61956 2/20 0.38
SUMO1 P63165 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
ENPP2 Q13822 9/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN11 Q06124 1/20 0.35
CD40 P25942 1/20 0.35
CD40LG P29965 1/20 0.35

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
SCHEMBL13615256 0.93 ENPP2 (0.40) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13629299 0.91 ENPP2 (0.43) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615134 0.90 ATIC (0.40) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615268 0.86 CYP2C9 (0.39) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615179 0.86 MEN1 (0.43) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615139 0.85 MEN1 (0.46) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615218 0.84 MEN1 (0.42) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13615246 0.83 CYP2C9 (0.47) MEN1THRBKMT2ATDP1SENP3
SCHEMBL13629435 0.83 ENPP2 (0.45) MEN1THRBKMT2ATDP1SENP3
SCHEMBL12568508 0.83 PTPN11 (0.40) SENP2SENP1ENPP2PTPN11PHLPP2

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