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SCHEMBL13239143

SCHEMBL13239143

Nc1c(N=Nc2ccc3c(O)c(N=Nc4cc(C(=O)O)c(N=Nc5c(C(=O)O)nn(-c6ccc(S(=O)(=O)O)cc6)c5O)c(S(=O)(=O)O)c4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(SOOO)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ ENPP2 Q13822 2/20 0.32
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13387534 0.97 CD40 (0.34) CD40CD40LGENPP2
SCHEMBL13239108 0.96 CD40 (0.36) CD40CD40LGENPP2
SCHEMBL13239117 0.95 CD40 (0.33) CD40CD40LGENPP2
SCHEMBL13239141 0.95 CD40 (0.33) CD40CD40LGENPP2
SCHEMBL13239133 0.94 ENPP2 (0.32) CD40CD40LGENPP2
SCHEMBL13239111 0.94 ENPP2 (0.34) CD40CD40LGENPP2
SCHEMBL13239124 0.94 ENPP2 (0.34) CD40CD40LGENPP2
SCHEMBL13239118 0.93 ENPP2 (0.31) CD40CD40LGENPP2
SCHEMBL13265195 0.93 CD40 (0.37) CD40CD40LGENPP2PHLPP2
SCHEMBL13239129 0.93 ENPP2 (0.31) CD40CD40LGENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 — — US disclosed
US-7503965-B2 Azo compound, ink composition, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-17 — — US disclosed
US-20080292792-A1 Azo Compound, Ink Composition, and Colored Object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-11-27 — — US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 — — US disclosed
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