SCHEMBL1586445

SCHEMBL1586445

CCCCC#Cc1c[nH]c(=O)[nH]c1=O.O=c1[nH]cc(/C=C/Br)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 4/20 0.40
▸ CYP3A4 P08684 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL1586447 1.00 DPYD (0.40) DPYDCYP3A4KDM4EMAPTHSD17B10
SCHEMBL1050748 0.86 DPYD (0.47) DPYDCYP3A4KDM4EMAPTHSD17B10
SCHEMBL31045506 0.82 DPYD (0.46) DPYDCYP3A4MAPTLMNACYP2C9
SCHEMBL16585678 0.81 GPR84 (0.46) DPYDCYP3A4KDM4EMAPTHSD17B10
SCHEMBL1890981 0.77 DPYD (0.50) DPYDKDM4EMAPTLMNASMN1; SMN2
SCHEMBL30504798 0.77 DPYD (0.44) DPYDMAPTLMNASMN1; SMN2TSHR
SCHEMBL15798473 0.76 DPYD (0.62) DPYDKDM4EMAPTLMNASMN1; SMN2
SCHEMBL65892 0.76 DPYD (0.62) DPYDKDM4EMAPTLMNASMN1; SMN2
SCHEMBL190003 0.76 DPYD (0.62) DPYDKDM4EMAPTLMNASMN1; SMN2
SCHEMBL16586721 0.74 GPR84 (0.43) DPYDCYP3A4KDM4EMAPTHSD17B10

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 24 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
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-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
WO-2014089004-A1 METHODS FOR TREATING 5-FLUOROURACIL PRODRUG NON-RESPONSIVE CANCER PATIENTS ADHEREX TECHNOLOGIES, INC. (US) 2014-06-12 — — WO disclosed
US-8658618-B2 Methods for preventing or reducing neurotoxicity associated with administering DPD inhibitors in combination with 5-FU and 5-FU prodrugs ADHEREX TECHNOLOGIES, INC. (US) 2014-02-25 — — US disclosed
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-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-1827443-A1 METHODS FOR ADMINISTERING DPD INHIBITORS IN COMBINATION WITH 5-FU AND 5-FU PRODRUGS Adherex Technologies, Inc. (CA) 2007-09-05 — — EP disclosed
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 disclosed
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 disclosed
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 disclosed
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