SCHEMBL7533019

SCHEMBL7533019

Cc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=O)n2COCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TK1 P04183 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 4/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
TACR1 P25103 5/20 0.33
DAO P14920 1/20 0.33
KMT2A Q03164 2/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
APP P05067 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8430914 0.92 ALDH1A1 (0.51) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL7533007 0.91 ALDH1A1 (0.45) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL8429092 0.90 ALDH1A1 (0.55) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL7535244 0.86 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL7535269 0.84 ALDH1A1 (0.54) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL8426834 0.83 ALDH1A1 (0.43) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL8430886 0.83 UPP1 (0.35) ALDH1A1HTT
SCHEMBL8428965 0.82 MEN1 (0.43) ALDH1A1CYP2C9HPGDUSP2MAPK1
SCHEMBL8426874 0.81 ALDH1A1 (0.46) ALDH1A1TK1CYP2C9CYP2C19HPGD
SCHEMBL8431027 0.80 ALDH1A1 (0.42) ALDH1A1TK1CYP2C9CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748316-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG IND LTD (KR) 2002-05-08 EP 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 claimed
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
EP-0748316-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG IND LTD (KR) 2002-05-08 EP disclosed
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