SCHEMBL17813952

SCHEMBL17813952

COc1cc(Nc2nc(NCCS(=O)(=O)O)nc(Nc3ccc(N=Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4S(=O)(=O)O)c(OC)c3)n2)ccc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.47
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ ENPP2 Q13822 8/20 0.40
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SENP3 Q9H4L4 2/20 0.34
▸ SENP2 Q9HC62 2/20 0.34
▸ SENP1 Q9P0U3 2/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 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
SCHEMBL17813879 0.90 CD40 (0.48) CD40CD40LGENPP2FUT8CA1
SCHEMBL6125349 0.89 CD40 (0.45) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL17814006 0.88 CD40 (0.44) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL17813957 0.85 CD40 (0.44) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL17813877 0.84 CD40 (0.41) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL14593370 0.84 PHLPP2 (0.46) PHLPP2ENPP2CARM1PRMT1CA1
SCHEMBL17813875 0.84 CD40 (0.43) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL14477177 0.83 CD40 (0.47) PHLPP2CD40CD40LGENPP2FUT8
SCHEMBL11997130 0.83 ENPP2 (0.43) PHLPP2CD40CD40LGENPP2CARM1
SCHEMBL14477092 0.82 ENPP2 (0.44) PHLPP2CD40CD40LGENPP2CARM1

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
Send feedback