SCHEMBL18675864

SCHEMBL18675864

CNc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3OC)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ ENPP2 Q13822 9/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ P2RX5 Q93086 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL14388921 0.92 ENPP2 (0.41) CD40CD40LGENPP2PHLPP2CA2
SCHEMBL18684946 0.92 ENPP2 (0.41) CD40CD40LGENPP2PHLPP2CA2
SCHEMBL16838453 0.91 ENPP2 (0.44) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL16838447 0.90 CD40 (0.34) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL14388816 0.90 CD40 (0.45) CD40CD40LGENPP2PHLPP2CA2
SCHEMBL18684951 0.89 ENPP2 (0.39) CD40CD40LGENPP2PHLPP2ALDH1A1
SCHEMBL18684967 0.88 ENPP2 (0.42) CD40CD40LGENPP2PHLPP2CA2
SCHEMBL16838421 0.88 PHLPP2 (0.39) CD40CD40LGENPP2PHLPP2CA2
SCHEMBL16838423 0.88 PRMT1 (0.34) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL18684952 0.88 ENPP2 (0.41) ENPP2PHLPP2ALDH1A1HIF1ATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391683-B1 FIBER-REACTIVE COPPER COMPLEX DISAZO DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2017-03-29 — — EP disclosed
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