SCHEMBL6509910

SCHEMBL6509910

O=C(O)CC[C@H](NC(=O)c1cc(F)c(N(CCBr)CCBr)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
DHFR P00374 1/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
FOLH1 Q04609 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 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) KDM4EHPGDALDH1A1TYMSDHFR
SCHEMBL6509755 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1TYMSDHFR
SCHEMBL6509794 0.89 KDM4E (0.40) KDM4EHPGDALDH1A1TYMSDHFR
SCHEMBL6508607 0.85 KDM4E (0.47) KDM4EHPGDTYMSDHFRCA2
SCHEMBL6509682 0.81 KDM4E (0.48) KDM4EHPGDALDH1A1CA2CA1
SCHEMBL6508609 0.76 CA2 (0.47) KDM4EHPGDTYMSDHFRCA2
SCHEMBL6519300 0.75 KDM4E (0.34) KDM4E
SCHEMBL4397295 0.74 KDM4E (0.47) KDM4EHPGDTYMSDHFRCA2
SCHEMBL6510663 0.74 KDM4E (0.47) KDM4EHPGDTYMSDHFRCA2
SCHEMBL8722915 0.72 FOLH1 (0.48) FOLH1RIMKLANAALAD2

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