SCHEMBL13599523

SCHEMBL13599523

COc1ccc(S(=O)(=O)CCOSOOO)cc1/N=N/c1c(SOOO)cc2cc(S(=O)(=O)O)cc(NC(C)=O)c2c1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.37
▸ ENPP2 Q13822 5/20 0.35
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ FUT8 Q9BYC5 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14075515 0.92 PRMT1 (0.41) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13599537 0.85 FUT8 (0.49) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13599552 0.83 ENPP2 (0.46) PRMT1ENPP2CA2CA3THRB
SCHEMBL13880976 0.81 ENPP2 (0.35) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13340938 0.81 THRB (0.43) PRMT1ENPP2THRBSMN1; SMN2ALDH1A1
SCHEMBL13340917 0.80 THRB (0.48) PRMT1ENPP2CA2CA3THRB
SCHEMBL12053428 0.80 THRB (0.48) PRMT1ENPP2CA2CA3THRB
SCHEMBL14075513 0.80 ENPP2 (0.46) ENPP2FUT8THRBALDH1A1MEN1
SCHEMBL13839141 0.78 ENPP2 (0.49) PRMT1ENPP2CA2CA3FUT8
SCHEMBL13880970 0.78 PRMT1 (0.45) PRMT1ENPP2THRBALDH1A1POLB

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-7637964-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2009-12-29 — — US disclosed
US-20080274287-A1 Dye Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-06 — — US disclosed
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