SCHEMBL1286579

SCHEMBL1286579

C1=COc2ccccc2C1.[Co].[Co].[Cr]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2C P28335 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
SCHEMBL18940665 1.00 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL887939 0.98 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL174617 0.98 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL170406 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL2426653 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL130349 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL7573753 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL5670912 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL1172586 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL564316 0.96 MAOA (0.38) MAOAMAOBLMNACRHBPCRHR2

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-20120085652-A1 MODIFIED METAL SURFACE AND METHOD FOR PREPARING THE SAME USING AN ELECTROCHEMICAL PROCESS MCGILL UNIVERSITY 2012-04-12 US disclosed