SCHEMBL13669652

SCHEMBL13669652

Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5cc(S(=O)(=O)O)c6cccc(S(=O)(=O)O)c6c5)c5ccccc45)c4ccc(S(=O)(=O)O)cc34)c(SOOO)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP2 Q9HC62 7/20 0.49
SUMO2 P61956 4/20 0.49
SUMO1 P63165 4/20 0.49
SENP7 Q9BQF6 4/20 0.49
ATIC P31939 2/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.46
CYP1A2 P05177 3/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SENP1 Q9P0U3 6/20 0.42
SENP3 Q9H4L4 5/20 0.42
ENPP2 Q13822 3/20 0.41
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL1756454 0.88 MEN1 (0.58) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL13673457 0.88 MEN1 (0.58) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL29538417 0.88 MEN1 (0.58) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL4110010 0.88 MEN1 (0.58) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL13615136 0.86 ATIC (0.47) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL16172511 0.86 SENP2 (0.61) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL16172530 0.85 SENP2 (0.60) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL15497810 0.85 SENP2 (0.52) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL13615139 0.83 MEN1 (0.46) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL13994974 0.81 PHLPP2 (0.49) ATICMEN1THRBKMT2ATDP1

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-7597721-B2 Concentrated aqueous compositions of dyestuffs CLARIANT FINANCE (BVI) LIMITED (VG) 2009-10-06 US disclosed
US-20070101515-A1 Concentrated aqueous compositions of dyestuffs ARCHROMA IP GMBH (CH) 2007-05-10 US disclosed