SCHEMBL9016439

SCHEMBL9016439

CCc1c([Se]c2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PNP P00491 2/20 0.32
GAA P10253 1/20 0.31
UPP1 Q16831 1/20 0.31
MAPT P10636 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
SCHEMBL8430467 0.90 ALDH1A1 (0.34) HTTGAAUPP1MAPT
SCHEMBL9016402 0.89 UPP1 (0.38) HTTUPP1
SCHEMBL7541334 0.89 GAA (0.33) GAA
SCHEMBL8426877 0.86 UPP1 (0.40) PNPUPP1
SCHEMBL8430830 0.84 PNP (0.33) HTTPNP
SCHEMBL8426736 0.83 GAA (0.34) GAAMAPT
SCHEMBL7534059 0.82 ALDH1A1 (0.46) GAAMAPT
SCHEMBL9266049 0.79 UPP1 (0.40) UPP1
SCHEMBL8430942 0.79 GAA (0.38) HTTGAAMAPT
SCHEMBL8760223 0.79 HTT (0.33) HTTPNPGAAUPP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed
WO-1995023138-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-08-31 WO disclosed