SCHEMBL12052968

SCHEMBL12052968

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(/N=N/c2cc(SOOO)c3cccc(S(=O)(=O)O)c3c2)c(N)c(/N=N/c2cc(S(=O)(=O)CCOS(=O)(=O)O)ccc2OC)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP2 Q9HC62 2/20 0.35
▸ ATIC P31939 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 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
SCHEMBL12053117 0.93 MEN1 (0.34) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12052963 0.91 SUMO2 (0.37) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12052972 0.90 SENP2 (0.36) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12052948 0.85 PRMT1 (0.37) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13340934 0.85 PRMT1 (0.36) SUMO2SUMO1SENP7SENP2KDM4E
SCHEMBL13340697 0.84 THRB (0.38) SUMO2SUMO1SENP7SENP2KDM4E
SCHEMBL12053114 0.84 ATIC (0.35) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12052857 0.83 SENP2 (0.37) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12052531 0.82 ATIC (0.35) SUMO2SUMO1SENP7SENP2ATIC
SCHEMBL12053120 0.82 ATIC (0.35) SUMO2SUMO1SENP7SENP2ATIC

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
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