SCHEMBL8431027

SCHEMBL8431027

CCOCn1c([Se]c2ccccc2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.35
DAO P14920 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TK1 P04183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CAPN1 P07384 1/20 0.32
NPC1 O15118 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
SCHEMBL8429092 0.89 ALDH1A1 (0.55) ALDH1A1HPGDDAOMEN1KMT2A
SCHEMBL8429213 0.88 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2ACYP2C9
SCHEMBL8430852 0.88 ALDH1A1 (0.36) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL8427021 0.87 UPP1 (0.46) ALDH1A1HPGDDAOPOLB
SCHEMBL7535244 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9597745 0.84 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL8426904 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1443402 0.83 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL8427032 0.82 SMN1; SMN2 (0.46) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL8430914 0.81 ALDH1A1 (0.51) ALDH1A1HPGDDAOMEN1KMT2A

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