SCHEMBL14388926

SCHEMBL14388926

O=S(=O)(O)CNc1ccc2c(O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ ENPP2 Q13822 10/20 0.38
▸ PRMT3 O60678 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MPL P40238 1/20 0.32
▸ SUMO2 P61956 1/20 0.31
▸ SUMO1 P63165 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP2 Q9HC62 1/20 0.31

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
SCHEMBL14388762 0.94 CD40 (0.44) THRBCA2CA3CD40CD40LG
SCHEMBL14388938 0.94 CD40 (0.44) THRBCA2CA3CD40CD40LG
SCHEMBL14388760 0.93 CD40 (0.40) THRBCA2CA3CD40CD40LG
SCHEMBL14388846 0.93 CD40 (0.39) THRBCA2CA3CD40CD40LG
SCHEMBL14388851 0.92 ENPP2 (0.43) THRBCA2CA3CD40CD40LG
SCHEMBL16838441 0.91 PHLPP2 (0.40) THRBCA2CA3CD40CD40LG
SCHEMBL14388935 0.89 ENPP2 (0.39) THRBCA2CA3CD40CD40LG
SCHEMBL14388941 0.87 CYP2C9 (0.39) THRBCA2CA3CD40CD40LG
SCHEMBL14388763 0.86 CD40 (0.37) THRBCD40CD40LGENPP2CYP1A2
SCHEMBL16838422 0.85 THRB (0.35) THRBCA2CA3CD40CD40LG

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-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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