SCHEMBL8430907

SCHEMBL8430907

CCCCn1c([Se]c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK10 P53779 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 4/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL8426980 0.89 MAPT (0.32) GAAMAPT
SCHEMBL8427006 0.88 MAPT (0.41) GAAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8427093 0.85 SIRT2 (0.41) GAAALDH1A1HPGDALOX12SMN1; SMN2
SCHEMBL8430942 0.84 GAA (0.38) GAAALDH1A1LMNAHPGDALOX12
SCHEMBL7532995 0.83 GAA (0.32) GAA
SCHEMBL7533007 0.76 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL8428965 0.75 MEN1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL8426905 0.74 TDP1 (0.36) GAAALDH1A1HPGDALOX12MAPT
SCHEMBL7535244 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ATDP1
SCHEMBL8428993 0.73 KDM4E (0.34) GAAALDH1A1LMNAHPGDALOX12

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