SCHEMBL15044723

SCHEMBL15044723

COC(=O)c1ccccc1/N=N/c1c(N)c(/N=N/c2ccc3cc(S(=O)(=O)CCO)ccc3c2)cc(S(=O)(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.41
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP2 Q9HC62 3/20 0.39
▸ SENP1 Q9P0U3 3/20 0.39
▸ SENP3 Q9H4L4 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PTPRJ Q12913 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DUSP26 Q9BV47 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SLC7A11 Q9UPY5 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL15044718 1.00 ENPP2 (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044755 0.93 MAPT (0.43) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044756 0.93 MAPT (0.43) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044695 0.91 MAPT (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044706 0.91 MAPT (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044922 0.87 CA2 (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL16170885 0.87 ENPP2 (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL16173874 0.87 CA2 (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL16173869 0.87 CA2 (0.41) ENPP2CA2MAPTNPSR1SENP2
SCHEMBL15044902 0.87 CA2 (0.41) ENPP2CA2MAPTNPSR1SENP2

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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