SCHEMBL3950895

SCHEMBL3950895

O=C1NC(=O)C([Se]c2ccccc2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KDM4C Q9H3R0 2/20 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
SCHEMBL1639992 0.67 MAPT (0.48) ALDH1A1MAPTMMP2MMP9CYP2C9
SCHEMBL17294198 0.65 MAPT (0.46) ALDH1A1MAPTMMP2MMP9CYP2C9
SCHEMBL7003557 0.62 ALDH1A1 (0.53) ALDH1A1MAPTMMP2MMP9CYP2C9
SCHEMBL2163156 0.62 ALDH1A1 (0.53) ALDH1A1MAPTMMP2MMP9KDM4C
SCHEMBL17276389 0.62 BRD4 (0.39) ALDH1A1MAPTEHMT2EHMT1BBOX1
SCHEMBL320007 0.62 HSD17B10 (0.53) ALDH1A1MAPTCA2HSD17B10KMT2A
SCHEMBL472476 0.62 KDM4C (0.51) ALDH1A1MAPTMMP2MMP9KDM4C
SCHEMBL11366355 0.62 CRBN (0.43) ALDH1A1MAPTMMP2MMP9KDM4C
SCHEMBL29079991 0.62 POLB (0.40) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL16597881 0.61 MAPT (0.55) ALDH1A1MAPTMMP9CYP2C9KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-RE37623-E1 PHENYLTHIO AND PHENYLSELENO PYRIMIDINE ANALOGS el Kouni, Mahmoud H. 2002-04-02 US claimed
EP-0725641-B1 NOVEL INHIBITORS OF URIDINE PHOSPHORYLASE (UrdPase) AND DIHYDROURACIL DEHYDROGENASE (DHUDase) EL KOUNI MAHMOUD H (US) 2000-12-13 EP claimed
US-5721241-A PYRIMIDINE COMPOUND USEFUL TO DISRUPT VIRAL, CANCER, FUNGAL, PARASITE OR BACTERIAL REPLICATION AND DIHYDROURACIL DEHYDROGENASE OR URIDINE PHOSPHORYLASE INHIBITORS el Kouni, Mahmoud H. (US) 1998-02-24 US claimed
EP-0725641-A4 1996-09-04 EP claimed
EP-0725641-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE El Kouni, Mahmoud H. (US) 1996-08-14 EP claimed
US-5476855-A Pyrimidine analogs and nucleosides el Kouni, Mahmoud H. (US) 1995-12-19 US claimed
WO-1995012400-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE UAB RESEARCH FOUNDATION (US) 1995-05-11 WO claimed
US-20130184232-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS SPECTOR THOMAS (US) 2013-07-18 US disclosed
US-8318756-B2 Dihydropyrimidine dehydrogenase (DPD) inhibitors; 5-fluorouracil; anticancer ADHEREX TECHNOLOGIES, INC. (CA) 2012-11-27 US disclosed
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 disclosed
EP-0725641-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE El Kouni, Mahmoud H. (US) 1996-08-14 EP disclosed
US-5476855-A Pyrimidine analogs and nucleosides el Kouni, Mahmoud H. (US) 1995-12-19 US disclosed
WO-1995012400-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE UAB RESEARCH FOUNDATION (US) 1995-05-11 WO disclosed