SCHEMBL16170885

SCHEMBL16170885

COC(=O)c1ccccc1/N=N/c1cc(S(=O)(=O)O)c(N)c(/N=N/c2ccc(S(=O)(=O)CCO)cc2CO)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ MAPT P10636 6/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SENP2 Q9HC62 5/20 0.37
▸ SENP1 Q9P0U3 5/20 0.37
▸ SUMO2 P61956 4/20 0.37
▸ SUMO1 P63165 4/20 0.37
▸ SENP7 Q9BQF6 4/20 0.37
▸ SENP3 Q9H4L4 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ RECQL P46063 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APP P05067 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL16170785 0.93 CA2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL15044922 0.90 CA2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL16173869 0.90 CA2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL15044756 0.89 MAPT (0.43) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL15044755 0.89 MAPT (0.43) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL15044923 0.89 CA2 (0.39) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL16173874 0.88 CA2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL15044902 0.88 CA2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL16170883 0.88 MAPT (0.39) ENPP2CA2MAPTNPSR1ALDH1A1
SCHEMBL16170712 0.88 SENP2 (0.41) ENPP2CA2MAPTNPSR1ALDH1A1

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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