SCHEMBL12053241

SCHEMBL12053241

Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.35
▸ P2RX5 Q93086 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ENPP2 Q13822 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL12053254 0.95 ENPP1 (0.33) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053245 0.95 THRB (0.38) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053247 0.92 MAPT (0.39) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053251 0.92 ENPP2 (0.34) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12052871 0.92 THRB (0.38) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053137 0.90 P2RX5 (0.34) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053173 0.87 ENPP1 (0.37) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053219 0.87 P2RX5 (0.36) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053192 0.86 BRD4 (0.36) ENPP1P2RX5P2RX4P2RX2KDM4E
SCHEMBL12052525 0.86 P2RX5 (0.32) ENPP1P2RX5P2RX4P2RX2KDM4E

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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