SCHEMBL8429092

SCHEMBL8429092

CC(C)c1c([Se]c2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TK1 P04183 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DAO P14920 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM5A P29375 2/20 0.33
UPP1 Q16831 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PNP P00491 1/20 0.33
CXCL8 P10145 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8430914 0.91 ALDH1A1 (0.51) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL7533019 0.90 ALDH1A1 (0.53) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL8426874 0.90 ALDH1A1 (0.46) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL8431027 0.89 ALDH1A1 (0.42) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL8427021 0.86 UPP1 (0.46) ALDH1A1DAOHPGDPOLBUPP1
SCHEMBL9016369 0.82 ALDH1A1 (0.56) ALDH1A1TK1CYP2C9CYP2C19USP2
SCHEMBL8426834 0.82 ALDH1A1 (0.43) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL7533007 0.81 ALDH1A1 (0.45) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL7541222 0.81 ALDH1A1 (0.56) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL8426875 0.80 MEN1 (0.47) ALDH1A1CYP2C9DAOUSP2MAPK1

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