Sugi Predict

Sugi Predict / Compounds / SCHEMBL13239145

SCHEMBL13239145

SCHEMBL13239145

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5c(C(=O)O)nn(-c6cc(C(=O)O)cc(C(=O)O)c6)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 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.34
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 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
SCHEMBL13239108 0.94 CD40 (0.36) ENPP2CD40CD40LG
SCHEMBL13239133 0.93 ENPP2 (0.32) ENPP2CD40CD40LG
SCHEMBL13265395 0.93 ENPP2 (0.37) ENPP2CD40CD40LG
SCHEMBL13387534 0.93 CD40 (0.34) ENPP2CD40CD40LG
SCHEMBL13239111 0.92 ENPP2 (0.34) ENPP2CD40CD40LG
SCHEMBL13239124 0.92 ENPP2 (0.34) ENPP2CD40CD40LG
SCHEMBL13239137 0.91 ENPP2 (0.35) ENPP2CD40CD40LG
SCHEMBL13239141 0.91 CD40 (0.33) ENPP2CD40CD40LG
SCHEMBL13239117 0.91 CD40 (0.33) ENPP2CD40CD40LG
SCHEMBL13239143 0.91 CD40 (0.33) ENPP2CD40CD40LG

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 5 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-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 — — 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
Send feedback