SCHEMBL15044691

SCHEMBL15044691

COC(=O)c1ccccc1/N=N/c1c(N)c(/N=N/c2ccc(NCCS(=O)(=O)CCO)cc2OC)cc(S(=O)(=O)O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ THRB P10828 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RECQL P46063 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ BLM P54132 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ APEX1 P27695 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ SLC10A1 Q14973 1/20 0.38
▸ PHLPP2 Q6ZVD8 2/20 0.37

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
SCHEMBL15044791 1.00 MAPT (0.39) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL16173902 0.94 MAPT (0.39) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL16173903 0.94 MAPT (0.39) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044690 0.90 MAPT (0.41) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044907 0.90 MAPT (0.41) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044692 0.89 MAPT (0.39) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044693 0.89 MAPT (0.39) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044793 0.88 MAPT (0.40) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044792 0.88 MAPT (0.40) MAPTNPSR1THRBALDH1A1MEN1
SCHEMBL15044694 0.88 MAPT (0.38) MAPTNPSR1THRBALDH1A1MEN1

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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