SCHEMBL13340930

SCHEMBL13340930

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1cc(S(=O)(=O)O)c(N)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ ENPP2 Q13822 2/20 0.33
▸ F2 P00734 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ TP53 P04637 2/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL12053140 0.93 KDM4E (0.36) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL12053197 0.88 KDM4E (0.38) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL13340696 0.88 P2RX5 (0.33) KDM4EMAPTTDP1RAB9AENPP2
SCHEMBL12053403 0.86 THRB (0.39) MEN1MAPTKMT2ATDP1ENPP2
SCHEMBL13340934 0.85 PRMT1 (0.36) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL12053247 0.84 MAPT (0.39) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL12052540 0.84 KDM4E (0.34) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL12053137 0.84 P2RX5 (0.34) KDM4EMAPTTDP1RAB9AENPP2
SCHEMBL12053223 0.83 KDM4E (0.41) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL12052554 0.82 MAPT (0.39) KDM4EMEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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