SCHEMBL13909429

SCHEMBL13909429

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4OCCCS(=O)(=O)O)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ APEX1 P27695 2/20 0.33
▸ NT5E P21589 1/20 0.33
▸ SENP3 Q9H4L4 2/20 0.33
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33

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
SCHEMBL13913106 0.96 ENPP2 (0.37) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13912854 0.94 ENPP2 (0.38) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13913215 0.93 ENPP2 (0.37) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL16153635 0.90 CYP1A2 (0.39) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13909453 0.89 CD40 (0.47) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL6126419 0.89 CD40 (0.47) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13909431 0.89 PHLPP2 (0.35) ENPP2CYP1A2CYP3A4HPGDALOX15
SCHEMBL6126201 0.89 ENPP2 (0.43) ENPP2CD40CD40LGCYP1A2PHLPP2
SCHEMBL16454247 0.87 ENPP2 (0.43) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13900524 0.87 ENPP2 (0.38) 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-9587129-B2 Ink composition and ink set SEIKO EPSON CORPORATION (JP) 2017-03-07 — — 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-20160137859-A1 INK COMPOSITION AND INK SET SEIKO EPSON CORPORATION (JP) 2016-05-19 — — US disclosed
US-20160032125-A1 INK SET SEIKO EPSON CORPORATION (JP) 2016-02-04 — — US disclosed
US-20140299020-A1 WATER-BASED BLACK INK COMPOSITION, INKJET RECORDING METHOD USING SAME, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-09 — — US disclosed
US-7503967-B2 Azo compound, ink composition and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-17 — — US disclosed
US-20080193660-A1 Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-14 — — US disclosed
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