SCHEMBL1051435

SCHEMBL1051435

O=c1[nH]cc(C#CBr)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.59
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
HTT P42858 1/20 0.43
HBB P68871 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL13296 0.79 DPYD (0.59) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL14177211 0.79 DPYD (0.59) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL403502 0.77 DPYD (0.52) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL887830 0.75 DPYD (0.58) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL1557319 0.75 DPYD (0.53) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL3485393 0.75 DPYD (0.53) DPYDALDH1A1MAPTGAAATAD2
Eniluracil SCHEMBL37817 0.74 DPYD (1.00) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL189451 0.74 DPYD (1.00) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL1890981 0.72 DPYD (0.50) DPYDALDH1A1MAPTGAAATAD2
SCHEMBL6510854 0.71 DPYD (0.49) DPYDALDH1A1MAPTGAAATAD2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184232-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS SPECTOR THOMAS (US) 2013-07-18 US claimed
US-8440442-B2 Method of assaying 5-FU MYRIAD GENETICS, INC (US) 2013-05-14 US claimed
EP-2488182-A1 TREATING NEUROTOXICITY ASSOCIATED WITH COMBINATIONS OF 5 - FU OR ITS PRODRUGS AND DPD INHIBITORS Adherex Technologies, Inc. (CA) 2012-08-22 EP claimed
US-20110130359-A1 METHODS FOR PREVENTING OR REDUCING NEUROTOXICITY ASSOCIATED WITH ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS ADHEREX TECHNOLOGIES, INC. (US) 2011-06-02 US claimed
WO-2011047195-A1 TREATING NEUROTOXICITY ASSOCIATED WITH COMBINATIONS OF 5 - FU OR ITS PRODRUGS AND DPD INHIBITORS ADHEREX TECHNOLOGIES, INC. (CA) 2011-04-21 WO claimed
WO-2009100367-A2 COMPOSITIONS COMPRISING TOPICAL DPD INHIBITORS AND METHODS OF USING SAME IN THE TREATMENT OF HAND-FOOT SYNDROME ADHEREX TECHNOLOGIES INC. (CA) 2009-08-13 WO claimed
US-20090196833-A1 COMPOSITIONS COMPRISING TOPICAL DPD INHIBITORS AND METHODS OF USING SAME IN THE TREATMENT OF HAND-FOOT SYNDROME ADHEREX TECHNOLOGIES INC. (CA) 2009-08-06 US claimed
US-20080255168-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS ADHEREX TECHNOLOGIES, INC. (CA) 2008-10-16 US claimed
EP-1827443-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS Adherex Technologies, Inc. (CA) 2007-09-05 EP claimed
WO-2006060697-A9 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS ADHEREX TECHNOLOGIES INC (CA) 2006-09-21 WO claimed
US-20060148753-A1 Methods for administering DPD inhibitors in combination with 5-FU and 5-FU prodrugs ADHEREX TECHNOLOGIES, INC. (CA) 2006-07-06 US claimed
WO-2006060697-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS ADHEREX TECHNOLOGIES, INC. (CA) 2006-06-08 WO claimed
EP-0985415-A1 Uracil reductase inactivators THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-15 EP claimed
US-5817664-A ANTITUMOR, ANTICANCER AGENTS GLAXO WELLCOME INC. (US) 1998-10-06 US claimed
EP-3792634-A2 METHOD OF ASSAYING 5-FU Myriad Genetics, Inc. (US) 2021-03-17 EP disclosed
EP-2488182-B1 Treating neurotoxicity associated with combinations of 5-FU or its prodrugs and DPD inhibitors ELION ONCOLOGY LLC (US) 2017-07-19 EP disclosed
US-9181199-B2 Uracil derivatives and use thereof RESPROTECT GMBH (DE) 2015-11-10 US disclosed
EP-0539442-A1 ENZYME INACTIVATORS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-05 EP disclosed
WO-1992004901-A1 URACIL REDUCTASE INACTIVATORS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed
WO-1992001452-A1 ENZYME INACTIVATORS THE WELLCOME FOUNDATION LIMITED (GB) 1992-02-06 WO disclosed