SCHEMBL12052999

SCHEMBL12052999

COc1ccc(/N=N/c2c(N)c(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3S(=O)(=O)O)cc(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3S(=O)(=O)O)c2N)c(S(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ THRB P10828 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC10A1 Q14973 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL12052821 0.97 ENPP2 (0.33) ENPP2PHLPP2THRBKDM4EMEN1
SCHEMBL12053083 0.93 ENPP2 (0.30) ENPP2
SCHEMBL12052521 0.92 ENPP2 (0.30) ENPP2
SCHEMBL12053068 0.90 — —
SCHEMBL12053076 0.90 — —
SCHEMBL12052809 0.89 ENPP2 (0.36) ENPP2PHLPP2THRBMEN1ALDH1A1
SCHEMBL12052948 0.88 PRMT1 (0.37) ENPP2PHLPP2THRBKDM4EMEN1
SCHEMBL12053105 0.87 P2RX5 (0.34) ENPP2THRBKDM4EMEN1ALDH1A1
SCHEMBL12053264 0.87 ENPP2 (0.37) ENPP2PHLPP2THRBKDM4EMEN1
SCHEMBL12052860 0.86 PHLPP2 (0.41) ENPP2PHLPP2THRBKDM4EMEN1

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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