SCHEMBL9568834

SCHEMBL9568834

CN(CC(=O)OP(=O)(O)O)C(=N)N.[KH]

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CA1 P00915 13/20 0.33
CA2 P00918 13/20 0.33
MVD P53602 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27190 0.98 CA4 (0.40) CA4NOS3NOS1NOS2CA1
SCHEMBL27962723 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
Water SCHEMBL27848699 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
SCHEMBL27714199 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
SCHEMBL1065568 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
Water SCHEMBL11581073 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
Water SCHEMBL28426097 0.96 CA4 (0.39) CA4NOS3NOS1NOS2CA1
Water SCHEMBL28416530 0.95 CA4 (0.38) CA4NOS3NOS1NOS2CA1
Water SCHEMBL28126405 0.95 CA4 (0.38) CA4NOS3NOS1NOS2CA1
SCHEMBL27614583 0.95 CA4 (0.42) CA4NOS3NOS1NOS2CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105861599-B A kind of synthetic method and application of CpG ODNs 李军涛 2019-08-09 CN claimed
CN-105861599-A Synthesis method and application of CpG ODNs 李军涛 2016-08-17 CN claimed
CN-105861599-B A kind of synthetic method and application of CpG ODNs 李军涛 2019-08-09 CN disclosed
CN-105861599-A Synthesis method and application of CpG ODNs 李军涛 2016-08-17 CN disclosed
EP-0554064-A1 Vaccine against schistosomiasis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1993-08-04 EP disclosed