SCHEMBL17515781

SCHEMBL17515781

O=[N+]([O-])c1cccc(N=Nc2ccc3cc(Nc4ccc5c(O)c(N=Nc6cc(S(=O)(=O)O)cc([N+](=O)[O-])c6O)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.51
▸ CD40LG P29965 1/20 0.51
▸ ENPP2 Q13822 9/20 0.50
▸ CYP1A2 P05177 4/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP2C9 P11712 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45

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
SCHEMBL20746885 0.92 CD40 (0.55) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL17515780 0.90 CYP1A2 (0.48) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL20746881 0.86 CD40 (0.50) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL17515784 0.85 ENPP2 (0.56) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL17518423 0.83 ENPP2 (0.52) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL24026836 0.82 ENPP2 (0.51) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL17515778 0.81 ENPP2 (0.58) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL10538078 0.80 PHLPP2 (0.51) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL10538140 0.80 PHLPP2 (0.51) CD40CD40LGENPP2CYP1A2HIF1A
SCHEMBL17515768 0.80 ENPP2 (0.55) CD40CD40LGENPP2CYP1A2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160041321-A1 Achromatic Dye-Based Highly-Transmissive Polarization Element, And Polarization Plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-11 — — US disclosed
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