SCHEMBL4393771

SCHEMBL4393771

C[C@H]1COc2c(F)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.54
TOP2A P11388 5/20 0.54
TOP2B Q02880 5/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
ALB P02768 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
AADAT Q8N5Z0 2/20 0.53
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53

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
SCHEMBL6240622 1.00 KDM4E (0.55) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL7016264 0.87 KDM4E (0.51) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL9416479 0.86 TOP2A (0.50) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL29872315 0.85 KDM4E (0.72) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL29406062 0.85 KDM4E (0.72) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL2089512 0.85 KDM4E (0.72) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL2877827 0.85 KDM4E (0.72) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL2333806 0.85 KDM4E (0.72) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL5197344 0.85 KDM4E (0.78) KDM4EKMT2AALDH1A1TOP2ATOP2B
Water SCHEMBL4394501 0.84 KDM4E (0.71) KDM4EKMT2AALDH1A1TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451194-B2 PREPARATION OF LEVOFLOXACIN HEMIHYDRATE TEVA PHARMA (IL) 2009-12-16 EP claimed
EP-1451194-B1 PREPARATION OF LEVOFLOXACIN HEMIHYDRATE TEVA PHARMA (IL) 2006-10-04 EP claimed
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0944385-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING $i(HELICOBACTER PYLORI) INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 1999-09-29 EP disclosed
WO-1998026768-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO[3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed