SCHEMBL12848431

SCHEMBL12848431

COc1cc(Nc2nc(Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)nc(NC(C)S(=O)(=O)O)n2)c(OC)cc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 3/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ ENPP2 Q13822 3/20 0.37
▸ PTPRC P08575 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PTPRJ Q12913 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DUSP26 Q9BV47 1/20 0.33
▸ ALK Q9UM73 4/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ GAK O14976 1/20 0.33

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
SCHEMBL11893167 0.87 CHAT (0.41) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL12848441 0.85 ATIC (0.48) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893243 0.83 ENPP2 (0.44) SENP2SUMO2SUMO1SENP7PHLPP2
SCHEMBL12848075 0.83 ENPP2 (0.49) SENP2SUMO2SUMO1SENP7PHLPP2
SCHEMBL12559107 0.82 SUMO2 (0.47) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13218700 0.79 ATIC (0.33) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13388669 0.79 SENP2 (0.48) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893246 0.79 CHAT (0.45) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL11893166 0.78 CA1 (0.44) ATICSENP2SUMO2SUMO1SENP7
SCHEMBL13219116 0.78 FUT8 (0.35) ATICSENP2SUMO2SUMO1SENP7

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-20110052885-A1 WATER SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 — — US disclosed
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