SCHEMBL8428993

SCHEMBL8428993

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8430852 0.90 ALDH1A1 (0.36) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7532995 0.89 GAA (0.32) GAA
SCHEMBL9016475 0.89 KDM4E (0.32) KDM4EALDH1A1GAAMAPTCYP2C9
SCHEMBL8426834 0.88 ALDH1A1 (0.43) KDM4EALDH1A1GAAMAPTCYP2C9
SCHEMBL8429213 0.88 ALDH1A1 (0.36) KDM4EALDH1A1GAAMAPTCYP2C9
SCHEMBL8430921 0.85 ALDH1A1 (0.34) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL8429024 0.82 MPO (0.31)
SCHEMBL7533007 0.80 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL8430914 0.79 ALDH1A1 (0.51) KDM4EALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL9016457 0.79 UPP1 (0.38) ALDH1A1

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
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