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SCHEMBL14646366

SCHEMBL14646366

Nc1c(N=Nc2ccc(/C=C/c3ccc(N=Nc4cc(S(=O)(=O)O)c(N)c(/N=N\c5ccc(S(=O)(=O)C(CO)(CO)S(=O)(=O)O)cc5)c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c(N)c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 9/20 0.42
▸ SENP1 Q9P0U3 8/20 0.42
▸ SUMO2 P61956 6/20 0.42
▸ SUMO1 P63165 6/20 0.42
▸ SENP7 Q9BQF6 6/20 0.42
▸ SENP3 Q9H4L4 5/20 0.42
▸ THRB P10828 2/20 0.39
▸ ENPP2 Q13822 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ APP P05067 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.34

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
SCHEMBL14565614 0.88 ENPP2 (0.45) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL13604262 0.83 THRB (0.51) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL13792698 0.83 THRB (0.51) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL13793489 0.79 THRB (0.47) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL13880627 0.79 ENPP2 (0.52) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL17109639 0.76 ENPP2 (0.48) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL16551879 0.76 ENPP2 (0.53) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL12017131 0.76 THRB (0.43) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL14546784 0.75 THRB (0.48) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL14546752 0.75 THRB (0.48) SENP2SENP1SUMO2SUMO1SENP7

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
WO-2013008201-A2 NOVEL REACTIVE DYES, THERE MIXTURES AND PROCESSES THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-01-17 — — WO disclosed
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