SCHEMBL12053323

SCHEMBL12053323

Nc1ccc2c(O)c(/N=N/c3cc(Nc4cc(F)nc(F)n4)ccc3S(=O)(=O)O)c(SOOO)cc2c1/N=N/c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.38
▸ SENP2 Q9HC62 5/20 0.38
▸ SUMO2 P61956 3/20 0.38
▸ SUMO1 P63165 3/20 0.38
▸ SENP7 Q9BQF6 3/20 0.38
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ PTPN11 Q06124 1/20 0.34
▸ SENP1 Q9P0U3 4/20 0.33
▸ SENP3 Q9H4L4 3/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL13340662 0.92 ENPP2 (0.39) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL13340927 0.91 ENPP2 (0.33) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL13340645 0.91 ENPP2 (0.33) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL12053298 0.89 CD40 (0.35) ENPP2CD40CD40LGPTPN11
SCHEMBL14388764 0.89 CD40 (0.46) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL13340650 0.88 ENPP2 (0.34) ENPP2
SCHEMBL13340631 0.88 ENPP2 (0.34) ENPP2
SCHEMBL13340651 0.86 ENPP2 (0.33) ENPP2CD40CD40LG
SCHEMBL12053265 0.86 ENPP2 (0.33) ENPP2CD40CD40LG
SCHEMBL13341034 0.84 ENPP2 (0.39) ENPP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-7708786-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-05-04 — — US disclosed
US-20090025152-A1 DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-01-29 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
US-7455699-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-25 — — US disclosed
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
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