SCHEMBL28096061

SCHEMBL28096061

NCCC(N)c1ncc[nH]1.O=[Re](=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.34
F2RL1 P55085 9/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 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
Bromide SCHEMBL28096064 0.89 F2RL1 (0.35) FPR2F2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL2458385 0.81 F2RL1 (0.33) F2RL1
SCHEMBL9315694 0.77 TBXAS1 (0.44) FPR2CSNK1A1TYRO3DYRK1BGRIA1
SCHEMBL2929069 0.75 FPR2 (0.41) FPR2F2RL1
SCHEMBL7421789 0.75 FPR2 (0.41) FPR2F2RL1
SCHEMBL9315687 0.75 CPB2 (0.42) FPR2CSNK1A1TYRO3DYRK1BGRIA1
SCHEMBL8977559 0.73 F2RL1 (0.31) FPR2F2RL1CSNK1A1TYRO3DYRK1B
SCHEMBL16151395 0.72 TBXAS1 (0.39) FPR2CSNK1A1TYRO3DYRK1BGRIA1
SCHEMBL4950871 0.72 ADRA2A (0.37) FPR2F2RL1MMP1MMP3MMP7
SCHEMBL7416391 0.71

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-106045913-B A kind of imidazoles perrhenate ions liquid and its preparation method and application with amino 辽宁大学 2018-10-26 CN disclosed
CN-106045913-A Imidazolium perrhenate ionic liquid with amino groups as well as preparation method and application of imidazolium perrhenate ionic liquid 辽宁大学 2016-10-26 CN disclosed