SCHEMBL8430852

SCHEMBL8430852

CCOCn1c([Se]c2cccc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
DAO P14920 2/20 0.34
KDR P35968 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
IDO1 P14902 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8428993 0.90 KDM4E (0.34) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL7535244 0.89 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL8430914 0.89 ALDH1A1 (0.51) ALDH1A1DAOKMT2AMEN1HTT
SCHEMBL9016457 0.89 UPP1 (0.38) ALDH1A1DAO
SCHEMBL8431027 0.88 ALDH1A1 (0.42) ALDH1A1DAOKMT2AMEN1HTT
SCHEMBL8426962 0.85 ALDH1A1 (0.37) ALDH1A1DAOKDRKMT2AMEN1
SCHEMBL8426904 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8426834 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1HTT
SCHEMBL7533019 0.80 ALDH1A1 (0.53) ALDH1A1DAOKMT2AMEN1HTT
SCHEMBL7532995 0.78 GAA (0.32)

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 5 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
US-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed
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