SCHEMBL16170740

SCHEMBL16170740

Cc1ccc(/N=N/c2c(N)c(/N=N/c3ccc(N[SH](=O)=O)cc3)cc(S(=O)(=O)O)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.48
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RECQL P46063 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ APP P05067 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SNCA P37840 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ENPP2 Q13822 3/20 0.43
▸ SENP2 Q9HC62 5/20 0.43
▸ SENP1 Q9P0U3 5/20 0.43
▸ SUMO2 P61956 4/20 0.43
▸ SUMO1 P63165 4/20 0.43
▸ SENP7 Q9BQF6 4/20 0.43
▸ SENP3 Q9H4L4 3/20 0.42

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
SCHEMBL16170766 0.90 SENP2 (0.54) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL15044698 0.76 SENP2 (0.70) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL8594655 0.76 SENP2 (0.70) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL16170792 0.76 SENP2 (0.56) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL15044721 0.75 ENPP2 (0.56) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL13793489 0.75 THRB (0.47) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL16170722 0.74 PHLPP2 (0.47) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL16170716 0.72 PHLPP2 (0.51) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL15044904 0.72 MAPT (0.47) PHLPP2MAPTMEN1ALDH1A1RECQL
SCHEMBL16170739 0.72 ALDH1A1 (0.52) PHLPP2MAPTMEN1ALDH1A1RECQL

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-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
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