SCHEMBL15044792

SCHEMBL15044792

COC(=O)c1ccccc1/N=N/c1c(N)c(/N=N/c2cccc(NCCS(=O)(=O)CCO)c2)cc(S(=O)(=O)O)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ SENP2 Q9HC62 5/20 0.36
▸ SENP1 Q9P0U3 5/20 0.36
▸ SUMO2 P61956 3/20 0.36
▸ SUMO1 P63165 3/20 0.36
▸ SENP7 Q9BQF6 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ APP P05067 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

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
SCHEMBL15044793 1.00 MAPT (0.40) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044907 0.92 MAPT (0.41) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044690 0.92 MAPT (0.41) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044691 0.88 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173902 0.88 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173903 0.88 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044791 0.88 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173900 0.88 MAPT (0.37) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044786 0.88 MAPT (0.37) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044697 0.85 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER

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 3 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
WO-2013087400-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-06-20 — — WO disclosed
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