SCHEMBL6509677

SCHEMBL6509677

CC(Br)CN(CC(C)Br)c1c(F)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TYMS P04818 7/20 0.42
FOLH1 Q04609 3/20 0.40
DHFR P00374 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
SCHEMBL6509680 0.91 CA2 (0.46) KDM4EHPGDCA2CA1CA12
SCHEMBL6508607 0.84 KDM4E (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL6510663 0.81 KDM4E (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL4397295 0.81 KDM4E (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL6510803 0.77 MAPK1 (0.37) KDM4EHPGDCA2CA1CA12
SCHEMBL6508609 0.75 CA2 (0.47) KDM4EHPGDCA2CA1CA12
SCHEMBL21586412 0.75 KDM4E (0.58) KDM4EHPGDCA2CA1CA12
SCHEMBL18263949 0.75 KDM4E (0.58) KDM4EHPGDCA2CA1CA12
SCHEMBL6511464 0.74 CA2 (0.49) KDM4EHPGDCA2CA1FOLH1
SCHEMBL17762943 0.74 KDM4E (0.61) 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 9 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-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-1165493-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058271-A1 NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-05 WO disclosed