SCHEMBL6508607

SCHEMBL6508607

O=C(O)CC[C@H](NC(=O)c1cc(F)c(N(CCBr)CCBr)c(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TYMS P04818 4/20 0.42
FOLH1 Q04609 6/20 0.41
DHFR P00374 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6508609 0.91 CA2 (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL4397295 0.88 KDM4E (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL6510663 0.88 KDM4E (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL6509910 0.85 KDM4E (0.40) KDM4EHPGDCA2CA1CA12
SCHEMBL6509677 0.84 KDM4E (0.46) KDM4EHPGDCA2CA1CA12
SCHEMBL6512041 0.79 CA2 (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL21586412 0.76 KDM4E (0.58) KDM4EHPGDCA2CA1CA12
SCHEMBL18263949 0.76 KDM4E (0.58) KDM4EHPGDCA2CA1CA12
SCHEMBL6511464 0.76 CA2 (0.49) KDM4EHPGDCA2CA1FOLH1
SCHEMBL6509854 0.76 CA2 (0.45) KDM4EHPGDCA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852755-B1 Nitrogen mustard compounds and prodrugs therefor CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2005-02-08 US claimed
EP-1165493-B1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER REC TECH LTD (GB) 2005-01-19 EP claimed
EP-1165493-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-02 EP claimed
WO-2000058271-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-05 WO claimed
US-6858584-B2 Pharmaceutical compositions containing a glycopeptide antibiotic and a cyclodextrin THERAVANCE, INC. (US) 2005-02-22 US disclosed
US-6852755-B1 Nitrogen mustard compounds and prodrugs therefor CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2005-02-08 US disclosed
EP-1165493-B1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER REC TECH LTD (GB) 2005-01-19 EP disclosed
US-20040014187-A1 Bacterial carboxypeptidase cpg2 variants and their use in gene directed enzyme prodrug therapy CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-01-22 US disclosed
EP-1280921-A1 BACTERIAL CARBOXYPEPTIDASE CPG2 VARIANTS AND THEIR USE IN GENE DIRECTED ENZYME PRODRUG THERAPY Cancer Research Ventures Limited (GB) 2003-02-05 EP disclosed
EP-1165493-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-02 EP disclosed
WO-2001085960-A1 BACTERIAL CARBOXYPEPTIDASE CPG2 VARIANTS AND THEIR USE IN GENE DIRECTED ENZYME PRODRUG THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-11-15 WO disclosed
WO-2000058271-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-05 WO disclosed