SCHEMBL17515780

SCHEMBL17515780

O=[N+]([O-])c1cc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccc5c(O)c(N=Nc6cccc([N+](=O)[O-])c6O)ccc5c4)ccc3c2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ENPP2 Q13822 10/20 0.46
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17515781 0.90 CD40 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL20746881 0.88 CD40 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL24026698 0.87 ENPP2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL24026836 0.85 ENPP2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL20746885 0.81 CD40 (0.55) CYP1A2CYP2C9ENPP2CD40CD40LG
SCHEMBL17518452 0.80 ENPP2 (0.49) CYP1A2ENPP2CD40CD40LGALDH1A1
SCHEMBL17089143 0.80 CD40 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL17515768 0.78 ENPP2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL12849184 0.78 CD40 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL10393822 0.78 PHLPP2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9HPGD

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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