SCHEMBL12053165

SCHEMBL12053165

CNc1cc(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2)cc1/N=N/c1ccc(S(=O)(=O)CCOSOOO)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ SENP2 Q9HC62 4/20 0.32
▸ SUMO2 P61956 3/20 0.32
▸ SUMO1 P63165 3/20 0.32
▸ SENP7 Q9BQF6 3/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ SENP1 Q9P0U3 3/20 0.31
▸ SENP3 Q9H4L4 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL12053169 1.00 ENPP2 (0.35) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL12053162 0.96 P2RX5 (0.32) P2RX5P2RX4P2RX2CYP2C19BRD4
SCHEMBL12053167 0.93 ENPP2 (0.45) ENPP2THRBPHLPP2CA2CA3
SCHEMBL12053138 0.92 PHLPP2 (0.39) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL12053161 0.88 ENPP2 (0.47) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL12053194 0.88 THRB (0.39) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL14546915 0.87 THRB (0.39) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL14546916 0.87 THRB (0.39) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL12053137 0.87 P2RX5 (0.34) ENPP2THRBPHLPP2P2RX5P2RX4
SCHEMBL12053216 0.86 ENPP2 (0.45) ENPP2THRBPHLPP2P2RX5P2RX4

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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