Sugi Predict

Sugi Predict / Compounds / SCHEMBL12052817

SCHEMBL12052817

SCHEMBL12052817

Nc1c(/N=N/c2ccccc2S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.34
▸ THRB P10828 3/20 0.33
▸ SUMO2 P61956 2/20 0.33
▸ SUMO1 P63165 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ SENP3 Q9H4L4 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32

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
SCHEMBL12052809 0.96 ENPP2 (0.36) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12052811 0.92 THRB (0.42) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12052516 0.92 THRB (0.42) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12052860 0.91 PHLPP2 (0.41) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12053102 0.91 CYP1A2 (0.34) ENPP2THRBMEN1ALDH1A1KMT2A
SCHEMBL14546782 0.90 ENPP2 (0.40) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL13996418 0.90 ENPP2 (0.33) ENPP2THRBPHLPP2
SCHEMBL12052535 0.90 ENPP2 (0.32) ENPP2THRBPHLPP2
SCHEMBL12052821 0.89 ENPP2 (0.33) ENPP2THRBSUMO2SUMO1SENP7
SCHEMBL12053424 0.89 SUMO2 (0.34) ENPP2THRBSUMO2SUMO1SENP7

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 2 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-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
Send feedback