SCHEMBL7834837

SCHEMBL7834837

Cc1c(C#N)[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.46
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
DPYD Q12882 1/20 0.38
UPP1 Q16831 3/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
GAA P10253 1/20 0.32
GDA Q9Y2T3 1/20 0.31

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
SCHEMBL27284697 0.77 DPYD (0.37) DPYDUPP1
SCHEMBL16174540 0.73 DPYD (0.38) TYMPDPYDGDA
SCHEMBL6694829 0.68 KDM4E (0.52) KDM4EATMDPYDUPP1ALDH1A1
SCHEMBL4560425 0.67 TYMP (0.56) TYMPALDH1A1ATAD2GDA
SCHEMBL1445690 0.67 TYMP (0.56) TYMPALDH1A1ATAD2GDA
SCHEMBL16167222 0.67 MEN1 (0.41) DPYDALDH1A1GAA
SCHEMBL10933269 0.66 DAO (0.40) KDM4EATMDPYDUPP1ALDH1A1
SCHEMBL31376425 0.65 TYMP (0.54) TYMPATMATAD2GDA
SCHEMBL11900309 0.65 KDM4E (0.36) KDM4EATMUPP1ALDH1A1HPGD
SCHEMBL9007002 0.65 TYMP (0.43) TYMPKDM4EALDH1A1HSD17B10ATAD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed