SCHEMBL21345256

SCHEMBL21345256

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 4/20 0.64
▸ MMP2 P08253 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
Eniluracil SCHEMBL37817 0.78 DPYD (1.00) DPYDGAAATAD2ALDH1A1LMNA
SCHEMBL4373860 0.76 DPYD (0.41) DPYDMMP2GAAATAD2ALDH1A1
SCHEMBL8509899 0.72 DPYD (0.38) DPYDMMP2ATAD2
SCHEMBL23622043 0.71 DPYD (0.64) DPYDGAAALDH1A1MAPT
Eniluracil SCHEMBL5392934 0.67 DPYD (0.73) DPYDMMP2GAAATAD2ALDH1A1
SCHEMBL65835 0.67 — —
SCHEMBL1056570 0.67 — —
SCHEMBL21345580 0.67 GAA (0.39) DPYDMMP2GAAATAD2ALDH1A1
SCHEMBL22571173 0.62 ATAD2 (0.39) DPYDMMP2GAAATAD2ALDH1A1
SCHEMBL4204491 0.62 KDM3B (0.55) DPYDMMP2GAAATAD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 — — WO disclosed
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