SCHEMBL17808404

SCHEMBL17808404

CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5ccc(N=Nc6cc7c(O)c(N=Nc8ccc(CN)cc8S(=O)(=O)O)ccc7cc6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.46
EP300 Q09472 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
ENPP2 Q13822 13/20 0.41
CYP1A2 P05177 1/20 0.36
PHLPP2 Q6ZVD8 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
SCHEMBL15423408 0.97 PRMT3 (0.46) PRMT3EP300PRMT6PRMT1CD40
SCHEMBL15424308 0.82 CD40 (0.49) PRMT3EP300PRMT6PRMT1CD40
SCHEMBL15444439 0.82 PRMT3 (0.47) PRMT3EP300PRMT6PRMT1CD40
SCHEMBL12016080 0.81 ENPP2 (0.43) PRMT1CD40CD40LGENPP2CYP1A2
SCHEMBL17808405 0.78 ENPP2 (0.52) CD40CD40LGENPP2CYP1A2PHLPP2
SCHEMBL15423404 0.78 ENPP2 (0.47) PRMT1CD40CD40LGENPP2CYP1A2
SCHEMBL15423417 0.75 ENPP2 (0.52) CD40CD40LGENPP2CYP1A2PHLPP2
SCHEMBL15423332 0.75 ENPP2 (0.55) PRMT1CD40CD40LGENPP2CYP1A2
SCHEMBL15423402 0.75 ENPP2 (0.44) PRMT1CD40CD40LGENPP2CYP1A2
SCHEMBL15423409 0.75 ENPP2 (0.56) CD40CD40LGENPP2CYP1A2PHLPP2

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-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed