SCHEMBL13679646

SCHEMBL13679646

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc([N+](=O)[O-])cc4SOOO)c(S(=O)(=O)O)cc3c2)c(S(=O)(=O)O)cc2ccc(N=Nc3ccc4c(O)c(N=Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)O)c(SOOO)cc4c3)c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.50
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ APEX1 P27695 1/20 0.38
▸ PTPN11 Q06124 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ PRMT1 Q99873 1/20 0.34

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
SCHEMBL13236957 0.96 ENPP2 (0.53) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1108410 0.96 ENPP2 (0.53) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13994865 0.94 ENPP2 (0.51) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13239098 0.92 ENPP2 (0.57) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13239150 0.91 ENPP2 (0.49) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12052421 0.91 ENPP2 (0.50) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13239152 0.90 ENPP2 (0.49) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13239103 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12878723 0.89 ENPP2 (0.47) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13994861 0.88 ENPP2 (0.49) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9

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-7594719-B2 Mailing ink, and ink tank for mailing, ink jet recording method for mailing and ink jet recording apparatus for mailing using the same CANON KABUSHIKI KAISHA (JP) 2009-09-29 — — US disclosed
US-7578585-B2 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2009-08-25 — — US disclosed
US-20070148376-A1 MAILING INK, AND INK TANK FOR MAILING, INK JET RECORDING METHOD FOR MAILING AND INK JET RECORDING APPARATUS FOR MAILING USING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-06-28 — — US disclosed
US-20070109390-A1 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2007-05-17 — — US disclosed
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