SCHEMBL13900494

SCHEMBL13900494

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4SOOO)c(S(=O)(=O)O)cc3c2)cc(S(=O)(=O)O)c2cc(SOOO)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ ENPP2 Q13822 12/20 0.45
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ PTPN11 Q06124 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL6123787 0.92 ENPP2 (0.41) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL13900472 0.92 ENPP2 (0.41) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL6123809 0.92 ENPP2 (0.42) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL13915882 0.92 ENPP2 (0.44) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL14374918 0.89 ENPP2 (0.46) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL14374727 0.89 ENPP2 (0.42) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL14374585 0.89 ENPP2 (0.45) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL14374582 0.88 ENPP2 (0.43) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL13900499 0.88 ENPP2 (0.38) CD40CD40LGENPP2CYP1A2CYP3A4
SCHEMBL1108410 0.88 ENPP2 (0.53) CD40CD40LGENPP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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