SCHEMBL10933100

SCHEMBL10933100

NP(N)(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10934228 0.97 ACHE (0.50) ACHECA1CA2NPSR1MEN1
SCHEMBL10931959 0.94
SCHEMBL10932934 0.88
SCHEMBL19348742 0.83 ACHE (0.46) ACHECA1CA2NPSR1MEN1
SCHEMBL3077572 0.81 ACHE (0.50) ACHECA1CA2NPSR1MEN1
SCHEMBL19348783 0.79 ACHE (0.43) ACHECA1CA2NPSR1MEN1
SCHEMBL19348788 0.77 ACHE (0.47) ACHECA1CA2NPSR1MEN1
SCHEMBL3062087 0.77 ACHE (0.47) ACHECA1CA2NPSR1MEN1
SCHEMBL3079200 0.77 ACHE (0.47) ACHECA1CA2NPSR1MEN1
SCHEMBL156375 0.77 ACHE (0.50) ACHECA1CA2NPSR1MEN1

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-4517002-A Phosphorodiamide urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 US disclosed
EP-0119494-A1 Urease inhibited urea based fertilizer compositions containing phosphorus compounds ALLIED CORPORATION (US) 1984-09-26 EP disclosed