SCHEMBL12052585

SCHEMBL12052585

C/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX5 Q93086 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12053219 0.87 P2RX5 (0.36) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053137 0.86 P2RX5 (0.34) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053173 0.86 ENPP1 (0.37) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053241 0.84 ENPP1 (0.35) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL13340696 0.84 P2RX5 (0.33) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053264 0.84 ENPP2 (0.37) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12052548 0.83 P2RX5 (0.34) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053096 0.83 P2RX5 (0.36) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053240 0.83 CYP1A2 (0.37) P2RX5P2RX4P2RX2ENPP1KDM4E
SCHEMBL12053232 0.83 ALDH1A1 (0.34) P2RX5P2RX4P2RX2ENPP1KDM4E

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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