SCHEMBL12053136

SCHEMBL12053136

CC(=O)Nc1cc(/N=N/c2c(O)c(/N=N/c3ccc(S(=O)(=O)CCOSOOO)cc3S(=O)(=O)O)c(O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c2O)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.44
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ AMY1A P0DUB6 4/20 0.34
▸ PRMT3 O60678 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ P2RX5 Q93086 2/20 0.31
▸ P2RX4 Q99571 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL12053021 0.93 ENPP2 (0.46) ENPP2CA2CA3CD40CD40LG
SCHEMBL14546978 0.92 ENPP2 (0.51) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053238 0.90 ENPP2 (0.44) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053099 0.90 THRB (0.40) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053087 0.89 ENPP2 (0.43) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053133 0.89 AMY1A (0.38) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053161 0.88 ENPP2 (0.47) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053216 0.87 ENPP2 (0.45) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053262 0.87 ENPP2 (0.46) ENPP2CA2CA3CD40CD40LG
SCHEMBL12053096 0.87 P2RX5 (0.36) ENPP2CD40CD40LGTHRBMAPT

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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