SCHEMBL14339271

SCHEMBL14339271

Nc1cc2c(O)c(NNc3ccc(/N=N/c4cnc5c(S(=O)(=O)O)cccc5c4)c4ccc(C(=O)O)nc34)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.36
ENPP2 Q13822 3/20 0.33
CYP1A2 P05177 4/20 0.33
MMP2 P08253 3/20 0.32
HIF1A Q16665 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
IDE P14735 1/20 0.31
DUSP3 P51452 1/20 0.31
CCR6 P51684 1/20 0.31
BLM P54132 1/20 0.31
SENP2 Q9HC62 2/20 0.31
SENP1 Q9P0U3 2/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL13629446 0.86 ENPP2 (0.42) ATICENPP2CYP1A2HIF1AALDH1A1
SCHEMBL13615324 0.77 PTPN11 (0.37) ATICENPP2CYP1A2HIF1AALDH1A1
SCHEMBL13629445 0.75 CYP1A2 (0.47) ATICENPP2CYP1A2HIF1AALDH1A1
SCHEMBL13936084 0.73 ATIC (0.39) ATICENPP2CYP1A2HIF1AHPGD
SCHEMBL13629444 0.73 ENPP2 (0.45) ENPP2CYP1A2HIF1AALDH1A1MEN1
SCHEMBL13935731 0.71 ENPP2 (0.43) ENPP2CYP1A2HIF1AALDH1A1MEN1
SCHEMBL13934929 0.71 ENPP2 (0.43) ENPP2CYP1A2HIF1AALDH1A1MEN1
SCHEMBL13615328 0.69 PTPN11 (0.41) ENPP2SENP2SENP1SUMO2SUMO1
SCHEMBL13629430 0.68 ATIC (0.51) ATICENPP2CYP1A2HIF1AHPGD
SCHEMBL13921648 0.67 PTPN11 (0.38) ENPP2CYP1A2HIF1AALDH1A1MEN1

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
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