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SCHEMBL9613385

SCHEMBL9613385

Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c(N)c(/N=N/c5ccc(N=Nc6ccc(S(=O)(=O)O)cc6)cc5S(=O)(=O)O)c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c(N)c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.60
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ CD40 P25942 1/20 0.48
▸ CD40LG P29965 1/20 0.48
▸ SENP2 Q9HC62 7/20 0.48
▸ SENP1 Q9P0U3 6/20 0.48
▸ SENP3 Q9H4L4 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ APP P05067 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ SNCA P37840 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SUMO2 P61956 5/20 0.47

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
SCHEMBL9613349 0.96 ENPP2 (0.54) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL15296886 0.91 ENPP2 (0.50) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL19982683 0.90 ENPP2 (0.49) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL19982593 0.87 ENPP2 (0.47) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL19982665 0.87 ENPP2 (0.47) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL15293548 0.87 ENPP2 (0.52) ENPP2PHLPP2CD40CD40LGSENP2
SCHEMBL9613346 0.86 SENP2 (0.54) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL15293547 0.85 ENPP2 (0.49) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL9613347 0.84 SENP2 (0.48) ENPP2PHLPP2SENP2SENP1SENP3
SCHEMBL9613344 0.83 CYP1A2 (0.58) ENPP2SENP2SENP1SENP3MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296362-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 — — EP disclosed
EP-3296363-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 — — EP disclosed
US-8734532-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-20130255006-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
WO-2012072634-A1 AZO DYES KEMIRA OYJ (FI) 2012-06-07 — — WO disclosed
EP-2457956-A1 Azo dyes Kemira Oyj (FI) 2012-05-30 — — EP disclosed
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