SCHEMBL8430407

SCHEMBL8430407

CCc1c([Se]c2cccc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TK1 P04183 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
DAO P14920 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
MEN1 O00255 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 1/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7535269 0.92 ALDH1A1 (0.54) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL8428903 0.91 ALDH1A1 (0.44) ALDH1A1TK1KMT2AHPGDNPSR1
SCHEMBL9016369 0.90 ALDH1A1 (0.56) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL8426962 0.89 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDNPSR1DAO
SCHEMBL9266049 0.86 UPP1 (0.40) ALDH1A1DAO
SCHEMBL8430914 0.85 ALDH1A1 (0.51) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL7534059 0.83 ALDH1A1 (0.46) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL1443402 0.81 ALDH1A1 (0.43) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL9016377 0.81 ALDH1A1 (0.47) ALDH1A1TK1CYP2C9CYP2C19KMT2A
SCHEMBL8430921 0.79 ALDH1A1 (0.34) ALDH1A1HPGDL3MBTL1KDM4E

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