SCHEMBL9016402

SCHEMBL9016402

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.38
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9266049 0.89 UPP1 (0.40) UPP1ALDH1A1
SCHEMBL9016439 0.89 HTT (0.33) UPP1HTT
SCHEMBL7534089 0.89 SMN1; SMN2 (0.35) MEN1KMT2ATDP1ALDH1A1
SCHEMBL8429654 0.85 UPP1 (0.49) UPP1ALDH1A1
SCHEMBL8430886 0.83 UPP1 (0.35) UPP1HTTALDH1A1
SCHEMBL7535269 0.83 ALDH1A1 (0.54) UPP1HTTMEN1KMT2AALDH1A1
SCHEMBL8430467 0.79 ALDH1A1 (0.34) UPP1HTTALDH1A1
SCHEMBL8392462 0.79 UPP1 (0.39) UPP1HTTMEN1KMT2ATDP1
SCHEMBL5199239 0.79 UPP1 (0.44) UPP1HTT
SCHEMBL8426881 0.78 MAPT (0.43) HTTMEN1KMT2AALDH1A1

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