SCHEMBL12993174

SCHEMBL12993174

C=C1C=CC(=O)N1Cc1ccc([N+]#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.53
▸ FAAH O00519 4/20 0.53
▸ GSK3A P49840 5/20 0.44
▸ GSK3B P49841 5/20 0.44
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CMA1 P23946 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CTRC Q99895 1/20 0.32
▸ GMNN O75496 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL14286721 0.84 MGLL (0.75) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL13033718 0.78 MGLL (0.59) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL18909704 0.78 MGLL (0.74) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL29572622 0.75 MGLL (0.59) MGLLFAAHGSK3AGSK3BALDH1A1
SCHEMBL146412 0.72 MGLL (1.00) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL17532637 0.71 MGLL (0.58) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL8950019 0.67 MGLL (0.86) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL21215698 0.67 MGLL (0.86) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL14020148 0.66 MGLL (0.46) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL22117358 0.65 MGLL (0.68) MGLLFAAHALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 — — US disclosed
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