SCHEMBL28054847

SCHEMBL28054847

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)OC(c2ccc([N+](=O)[O-])cc2)P(=O)(OC)OC)n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 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
SCHEMBL28054746 0.89 ALOX15 (0.39)
SCHEMBL28054858 0.89 CTSA (0.34)
SCHEMBL28054829 0.89 KDM4E (0.37)
SCHEMBL28054890 0.89 NPSR1 (0.35)
SCHEMBL28054830 0.88 NPSR1 (0.34)
SCHEMBL28054702 0.88
SCHEMBL28054837 0.85
SCHEMBL28054846 0.81
SCHEMBL9683913 0.81 PTPN7 (0.43)
SCHEMBL28054703 0.81 NPSR1 (0.34)

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
CN-105693771-B Phosphonate ester compound and its preparation method and application containing pyrimidine ring 华中师范大学 2018-08-14 CN disclosed
CN-105693771-A Phosphonate compound containing pyrimidine ring as well as preparation method and application thereof 华中师范大学 2016-06-22 CN disclosed