SCHEMBL13265395

SCHEMBL13265395

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(S(=O)(=O)O)c(/N=N\c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL12562722 0.94 ENPP2 (0.38) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265358 0.93 CD40 (0.41) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265405 0.93 CD40 (0.41) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13239145 0.93 ENPP2 (0.34) ENPP2CD40CD40LG
SCHEMBL13265247 0.92 CD40 (0.36) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13406835 0.91 CD40 (0.39) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15424297 0.90 ENPP2 (0.37) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13264983 0.90 CD40 (0.38) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL20682103 0.90 CD40 (0.38) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423393 0.90 CD40 (0.40) ENPP2CD40CD40LGCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 — — US disclosed
US-20130288019-A1 INK COMPOSITION, INKJET RECORDING METHOD, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-31 — — US disclosed
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
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