SCHEMBL12052525

SCHEMBL12052525

Nc1cc(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ ENPP1 P22413 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ P2RY1 P47900 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ENPP2 Q13822 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
SCHEMBL12053137 0.96 P2RX5 (0.34) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL13340696 0.92 P2RX5 (0.33) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL12053138 0.91 PHLPP2 (0.39) P2RX5P2RX4P2RX2PHLPP2THRB
SCHEMBL12053152 0.91 SENP2 (0.32) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL12052809 0.91 ENPP2 (0.36) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL12052869 0.91 THRB (0.39) P2RX5P2RX4P2RX2PHLPP2THRB
SCHEMBL12053192 0.90 BRD4 (0.36) P2RX5P2RX4P2RX2PHLPP2ENPP1
SCHEMBL12052548 0.89 P2RX5 (0.34) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053424 0.89 SUMO2 (0.34) P2RX5P2RX4P2RX2THRBENPP2
SCHEMBL14546970 0.89 PHLPP2 (0.37) P2RX5P2RX4P2RX2PHLPP2ENPP1

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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