SCHEMBL7534059

SCHEMBL7534059

CCc1c([Se]c2cc(C)cc(C)c2)n(COCc2ccccc2)c(=S)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
TK1 P04183 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NPSR1 Q6W5P4 3/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
STAT1 P42224 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL8428903 0.92 ALDH1A1 (0.44) ALDH1A1SIRT2SIRT1TK1KMT2A
SCHEMBL7535269 0.91 ALDH1A1 (0.54) ALDH1A1TK1KMT2AMEN1SMN1; SMN2
SCHEMBL9016377 0.91 ALDH1A1 (0.47) ALDH1A1SIRT2SIRT1TK1KMT2A
SCHEMBL7541334 0.86 GAA (0.33) SIRT2SIRT1GAA
SCHEMBL7533007 0.85 ALDH1A1 (0.45) ALDH1A1SIRT2SIRT1TK1KMT2A
SCHEMBL8430407 0.83 ALDH1A1 (0.52) ALDH1A1TK1KMT2AMEN1NPSR1
SCHEMBL9016439 0.82 HTT (0.33) MAPTGAA
SCHEMBL9016369 0.81 ALDH1A1 (0.56) ALDH1A1TK1KMT2AMEN1SMN1; SMN2
SCHEMBL8426995 0.81 SIRT2 (0.40) ALDH1A1SIRT2SIRT1KMT2AMEN1
SCHEMBL8430921 0.81 ALDH1A1 (0.34) ALDH1A1SIRT2SIRT1GAAKDM4E

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