SCHEMBL4966699

SCHEMBL4966699

CN(CC(=O)OP(=O)(OC(=O)CN(C)C(=N)N)OP(=O)(O)O)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MVD P53602 2/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL1739489 0.87 MVD (0.42) MVDNOS3NOS1NOS2CA1
SCHEMBL27190 0.86 CA4 (0.40) MVDNOS3NOS1NOS2CA1
Water SCHEMBL27848699 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL9568834 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL27714199 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL1065568 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
Water SCHEMBL28426097 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL27962723 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
Water SCHEMBL11581073 0.85 CA4 (0.39) MVDNOS3NOS1NOS2CA1
SCHEMBL15514032 0.84 MVD (0.40) MVDNOS3NOS1NOS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318236-A1 Cell Free Screening Assay and Methods of Use OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2008-12-25 US claimed
EP-1960776-A1 CELL FREE SCREENING ASSAY AND METHODS OF USE Oregon Health and Science University (US) 2008-08-27 EP claimed
WO-2007067261-A1 CELL FREE SCREENING ASSAY AND METHODS OF USE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-06-14 WO claimed