SCHEMBL15044693

SCHEMBL15044693

COC(=O)c1ccccc1/N=N/c1cc(S(=O)(=O)O)c(N)c(/N=N/c2cc(OC)c(NCCS(=O)(=O)CCO)cc2OC)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ THRB P10828 3/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ GLA P06280 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34

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
SCHEMBL15044692 1.00 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044702 0.94 MAPT (0.38) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044694 0.94 MAPT (0.38) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173903 0.89 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044691 0.89 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173902 0.89 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044791 0.89 MAPT (0.39) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL16173873 0.86 MAPT (0.41) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044759 0.86 MAPT (0.41) MAPTNPSR1ALDH1A1GAAGFER
SCHEMBL15044690 0.85 MAPT (0.41) 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 5 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-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
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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