SCHEMBL6509854

SCHEMBL6509854

O=C(O)CC[C@H](NC(=O)c1ccc(N(CCBr)CCBr)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TYMS P04818 7/20 0.42
FOLH1 Q04609 3/20 0.42
PTPN1 P18031 1/20 0.42
CCKBR P32239 2/20 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
SCHEMBL6533319 0.77 HCAR3 (0.41) PTPN1
SCHEMBL6508607 0.76 KDM4E (0.47) CA2CA1CA12CA9KDM4E
SCHEMBL28905229 0.75 TYMS (0.53) CA2CA1CA12CA9KDM4E
SCHEMBL2638767 0.75 TYMS (0.53) CA2CA1CA12CA9KDM4E
SCHEMBL27564186 0.72 CA2 (0.75) CA2CA1CA12CA9KDM4E
SCHEMBL8722915 0.72 FOLH1 (0.48) FOLH1CCKBR
SCHEMBL9827556 0.71 GAA (0.51) CA2CA1KDM4EHPGDTYMS
SCHEMBL6509910 0.71 KDM4E (0.40) CA2CA1CA12CA9KDM4E
SCHEMBL19418983 0.71 CA2 (0.54) CA2CA1CA12CA9KDM4E
SCHEMBL2638361 0.70 TYMS (0.51) CA2CA1CA12CA9TYMS

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