SCHEMBL6001083

SCHEMBL6001083

FC(F)(F)O[CH]c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
PTPN5 P54829 4/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MAOA P21397 1/20 0.36
KIF11 P52732 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
AGXT P21549 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NFE2L2 Q16236 1/20 0.33
SCN9A Q15858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL821619 0.82 ALDH1A1 (0.36) PTPN1NFE2L2
SCHEMBL4973376 0.77 NFE2L2 (0.54) NFE2L2
SCHEMBL27645151 0.75 TRIM24 (0.41) TRIM24TRIM33MAOAAGXTCA12
SCHEMBL27767059 0.72 BCL2L1 (0.47) PTPN1PTPN5TRIM24TRIM33MAOA
SCHEMBL17117419 0.71 MAOA (0.44) PTPN1PTPN5TRIM24TRIM33MAOA
SCHEMBL5535635 0.71 MAOA (0.44) PTPN1PTPN5TRIM24TRIM33MAOA
SCHEMBL2843934 0.71 MAOA (0.48) TRIM24TRIM33MAOABCL2L1BAD
SCHEMBL7535716 0.69 NFE2L2 (0.58) MAOABCL2L1BADHDAC8NFE2L2
SCHEMBL530889 0.69 NFE2L2 (0.58) MAOABCL2L1BADHDAC8NFE2L2
SCHEMBL1005178 0.67 MAOA (0.44) TRIM24TRIM33MAOABCL2L1BAD

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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed