SCHEMBL13433122

SCHEMBL13433122

Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(SC#COOS(=O)(=O)O)cc4)cc3)c(SOOO)cc2c1N=Nc1ccc(S(=O)(=O)CCCCOCCCCS(=O)(=O)c2ccc(N=Nc3c(N)ccc4c(O)c(N=Nc5ccc(N=Nc6ccc(SC#COOS(=O)(=O)O)cc6)cc5)c(SOOO)cc34)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL13432946 0.90 ENPP2 (0.33) ENPP2
SCHEMBL13619153 0.90 CD40 (0.32) CD40CD40LGENPP2PTPN11
SCHEMBL13619135 0.90 CD40 (0.33) CD40CD40LGENPP2PTPN11
SCHEMBL13619142 0.87 — —
SCHEMBL13619137 0.86 ENPP2 (0.30) ENPP2
SCHEMBL13432908 0.85 ENPP2 (0.31) ENPP2
SCHEMBL13433104 0.82 THRB (0.39) ENPP2
SCHEMBL13432880 0.82 THRB (0.44) CD40CD40LGENPP2PTPN11
SCHEMBL13619145 0.81 — —
SCHEMBL12053276 0.81 ENPP2 (0.37) CD40CD40LGENPP2PTPN11

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
US-7687612-B1 Reactive dyestuff with dialkylether bridge group EVERLIGHT USA, INC. (US) 2010-03-30 — — US disclosed
Send feedback