SCHEMBL8569204

SCHEMBL8569204

CCc1c(Br)ccnc1-c1nccc(P(=O)(O)O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL6522247 0.75 MAPT (0.30)
SCHEMBL4423596 0.67 GABRA1 (0.42)
SCHEMBL22863950 0.67 NOS2 (0.41) NOS3NOS2
Propane SCHEMBL28637530 0.66 FDPS (0.36)
SCHEMBL25291812 0.65 NOS3 (0.39) NOS3NOS2
SCHEMBL20673582 0.64 NOS2 (0.62) NOS3NOS2
SCHEMBL22863892 0.64 NOS3 (0.38) NOS3NOS2
SCHEMBL18261805 0.64 GABRA1 (0.32)
SCHEMBL7020614 0.63 POLB (0.38)
SCHEMBL107782 0.63 CYP1A2 (0.37) NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758337-B1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECH (CH) 1998-12-16 EP disclosed
US-5789592-A Phosphonated polypyridyl compounds and their complexes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1998-08-04 US disclosed
EP-0758337-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1997-02-19 EP disclosed
WO-1995029924-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 1995-11-09 WO disclosed