SCHEMBL6509755

SCHEMBL6509755

O=C(O)CC[C@H](NC(=O)c1cc(F)c(N(CCCl)CCCl)c(F)c1F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TYMS P04818 6/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
DHFR P00374 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
FOLH1 Q04609 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38

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
SCHEMBL6512236 0.90 TYMS (0.47) KDM4EHPGDALDH1A1TYMSCA1
SCHEMBL6509794 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1TYMSCA1
SCHEMBL6509910 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1TYMSCA1
SCHEMBL6510663 0.85 KDM4E (0.47) KDM4EHPGDTYMSCA1CA2
SCHEMBL6509682 0.81 KDM4E (0.48) KDM4EHPGDALDH1A1CA1CA2
SCHEMBL2638767 0.78 TYMS (0.53) KDM4EHPGDTYMSCA1CA2
SCHEMBL28905229 0.78 TYMS (0.53) KDM4EHPGDTYMSCA1CA2
SCHEMBL6512041 0.76 CA2 (0.47) KDM4EHPGDTYMSCA1CA2
SCHEMBL7609045 0.75 NAALAD2 (0.47) CA1CA2CA12CA9FOLH1
SCHEMBL7258566 0.75 NAALAD2 (0.47) CA1CA2CA12CA9FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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