SCHEMBL12377650

SCHEMBL12377650

COc1cc(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)c(N)c3c2O)c(OC)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.51
▸ ENPP2 Q13822 9/20 0.41
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PHLPP2 Q6ZVD8 3/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 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

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
SCHEMBL12052832 0.91 THRB (0.49) THRBENPP2MEN1KMT2AHTT
SCHEMBL13340503 0.90 THRB (0.47) THRBENPP2MEN1KMT2AHTT
SCHEMBL12053454 0.90 THRB (0.48) THRBENPP2MEN1KMT2AHTT
SCHEMBL12053429 0.90 THRB (0.48) THRBENPP2MEN1KMT2AHTT
SCHEMBL12053428 0.89 THRB (0.48) THRBENPP2MEN1KMT2AHTT
SCHEMBL13340917 0.89 THRB (0.48) THRBENPP2MEN1KMT2AHTT
SCHEMBL14500858 0.89 THRB (0.56) THRBENPP2MEN1KMT2AHTT
SCHEMBL12377656 0.88 THRB (0.51) THRBENPP2MEN1KMT2AHTT
SCHEMBL14159572 0.88 THRB (0.46) THRBENPP2MEN1KMT2AHTT
SCHEMBL12052884 0.88 THRB (0.46) THRBENPP2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003590-B2 Detergent composition comprising reactive dye THE PROCTER & GAMBLE COMPANY (US) 2011-08-23 — — US disclosed
US-7829517-B2 Detergent composition comprising non-ionic detersive surfactant mixture and reactive dye mixture THE PROCTER & GAMBLE COMPANY (US) 2010-11-09 — — US disclosed
US-7745385-B2 Water-soluble pouch comprising a detergent composition THE PROCTER & GAMBLE COMPANY (US) 2010-06-29 — — US disclosed
US-20090253604-A1 Water-Soluble Pouch Comprising a Detergent Composition THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090253606-A1 Detergent Composition Comprising Non-Ionic Detersive Surfactant and Reactive Dye THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090249561-A1 Kit of Parts Comprising a Solid Laundry Detergent Composition and a Dosing Device THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
US-20090253607-A1 Detergent Composition Comprising Reactive Dye THE PROCTER & GAMBLE COMPANY 2009-10-08 — — US disclosed
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