SCHEMBL7541222

SCHEMBL7541222

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TK1 P04183 1/20 0.41
HPGD P15428 4/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DAO P14920 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
CXCL8 P10145 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM5A P29375 1/20 0.35
PNP P00491 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL30601622 0.84 ALDH1A1 (0.55) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8067268 0.81 ALDH1A1 (0.56) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8429092 0.81 ALDH1A1 (0.55) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8067651 0.80 ALDH1A1 (0.51) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8071853 0.77 ALDH1A1 (0.54) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL7533019 0.76 ALDH1A1 (0.53) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8430914 0.75 ALDH1A1 (0.51) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL6719602 0.74 ALDH1A1 (0.75) ALDH1A1TK1HPGDCYP2C9CYP2C19
SCHEMBL8389718 0.74 ALDH1A1 (0.47) ALDH1A1TK1CYP2C9CYP2C19DAO
SCHEMBL1287942 0.74 ALDH1A1 (0.52) ALDH1A1TK1HPGDDAOMAPK1

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 4 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 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