SCHEMBL17813877

SCHEMBL17813877

CCc1cc(Nc2nc(NCCS(=O)(=O)O)nc(Nc3ccc(N=Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4S(=O)(=O)O)c(C)c3)n2)ccc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ ENPP2 Q13822 6/20 0.41
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.34
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ CHAT P28329 1/20 0.33
▸ SENP3 Q9H4L4 2/20 0.33
▸ SENP2 Q9HC62 2/20 0.33
▸ SENP1 Q9P0U3 2/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 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
SCHEMBL6125349 0.95 CD40 (0.45) CD40CD40LGENPP2CA1CA2
SCHEMBL17814006 0.94 CD40 (0.44) CD40CD40LGENPP2CA1CA2
SCHEMBL17813957 0.91 CD40 (0.44) CD40CD40LGENPP2CA1CA2
SCHEMBL17813875 0.90 CD40 (0.43) CD40CD40LGENPP2CA1CA2
SCHEMBL14477177 0.90 CD40 (0.47) CD40CD40LGENPP2CA1CA2
SCHEMBL11997050 0.88 CD40 (0.46) CD40CD40LGENPP2CA1CA2
SCHEMBL11929777 0.88 CD40 (0.46) CD40CD40LGENPP2CA1CA2
SCHEMBL17813879 0.88 CD40 (0.48) CD40CD40LGENPP2CA1CA2
SCHEMBL17813951 0.86 CD40 (0.46) CD40CD40LGENPP2RPS6KA3ALDH1A1
SCHEMBL10292578 0.85 CD40 (0.51) CD40CD40LGENPP2RPS6KA3ALDH1A1

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-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — 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
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