SCHEMBL15044694

SCHEMBL15044694

COC(=O)c1ccccc1/N=N/c1c(N)c(/N=N/c2cc(C)c(NCCS(=O)(=O)CCO)cc2OC)cc(S(=O)(=O)O)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ SENP2 Q9HC62 3/20 0.35
▸ SENP1 Q9P0U3 3/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP3 Q9H4L4 2/20 0.35
▸ ENPP2 Q13822 5/20 0.34
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL15044702 1.00 MAPT (0.38) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044692 0.94 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044693 0.94 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL16173902 0.88 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044791 0.88 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044691 0.88 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL16173903 0.88 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL16173871 0.86 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044906 0.86 MAPT (0.39) MAPTNPSR1THRBALDH1A1KDM4E
SCHEMBL15044907 0.84 MAPT (0.41) MAPTNPSR1THRBALDH1A1GAA

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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