SCHEMBL12052948

SCHEMBL12052948

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.37
▸ ENPP2 Q13822 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL12052958 0.94 PRMT1 (0.33) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL13340934 0.94 PRMT1 (0.36) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL12052809 0.93 ENPP2 (0.36) ENPP2MEN1MAPTKMT2ATDP1
SCHEMBL12052821 0.91 ENPP2 (0.33) ENPP2KDM4EMEN1MAPTKMT2A
SCHEMBL12053100 0.91 PRMT1 (0.40) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL12052860 0.91 PHLPP2 (0.41) ENPP2KDM4EMEN1MAPTKMT2A
SCHEMBL14546780 0.91 PRMT1 (0.42) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL13340697 0.90 THRB (0.38) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL14546986 0.89 PRMT1 (0.43) PRMT1ENPP2KDM4EMEN1MAPT
SCHEMBL12052811 0.89 THRB (0.42) ENPP2MEN1MAPTKMT2ATDP1

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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