SCHEMBL12053173

SCHEMBL12053173

Cc1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.37
▸ P2RX5 Q93086 2/20 0.36
▸ P2RX4 Q99571 2/20 0.36
▸ P2RX2 Q9UBL9 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SENP2 Q9HC62 5/20 0.34
▸ SENP1 Q9P0U3 5/20 0.34
▸ SUMO2 P61956 4/20 0.34
▸ SUMO1 P63165 4/20 0.34
▸ SENP7 Q9BQF6 4/20 0.34

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
SCHEMBL12053171 0.95 THRB (0.38) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053264 0.92 ENPP2 (0.37) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053177 0.91 P2RX5 (0.38) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053137 0.89 P2RX5 (0.34) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12052809 0.88 ENPP2 (0.36) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053179 0.88 THRB (0.42) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053241 0.87 ENPP1 (0.35) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12052860 0.87 PHLPP2 (0.41) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12052999 0.86 ENPP2 (0.35) ENPP1P2RX5P2RX4P2RX2ALDH1A1
SCHEMBL12053219 0.86 P2RX5 (0.36) ENPP1P2RX5P2RX4P2RX2ALDH1A1

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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