SCHEMBL15424308

SCHEMBL15424308

CNc1ccc(N=Nc2c(S(=O)(=O)O)cc3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7c(O)c(N=Nc8ccc(NC(C)=O)cc8S(=O)(=O)O)c(S(=O)(=O)O)cc7c6S(=O)(=O)O)c(N)c5c4O)cc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.49
CD40LG P29965 1/20 0.49
PRMT3 O60678 1/20 0.47
EP300 Q09472 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
ENPP2 Q13822 13/20 0.45
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15444439 0.94 PRMT3 (0.47) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL15423408 0.85 PRMT3 (0.46) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL17808404 0.82 PRMT3 (0.46) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL12511369 0.81 CD40 (0.54) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL12511368 0.80 PRMT3 (0.51) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL9137047 0.80 PRMT3 (0.65) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL14400936 0.79 PRMT3 (0.43) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL13959649 0.78 PRMT1 (0.55) CD40CD40LGPRMT3EP300PRMT6
SCHEMBL13997335 0.78 ENPP2 (0.49) CD40CD40LGENPP2THRBMEN1
SCHEMBL13741254 0.77 ENPP2 (0.53) CD40CD40LGPRMT1ENPP2THRB

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-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 US disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed