SCHEMBL7540000

SCHEMBL7540000

CC(C)c1cn(COCc2ccccc2)c(=S)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.37
UPP1 Q16831 1/20 0.37
DAO P14920 3/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TSHR P16473 1/20 0.34
GLRA1 P23415 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 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
SCHEMBL1287942 0.88 ALDH1A1 (0.52) TK1ALDH1A1HPGDUPP1DAO
SCHEMBL7541951 0.82 UPP1 (0.46) TK1ALDH1A1HPGDUPP1DAO
SCHEMBL7535480 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL1287902 0.76 ALDH1A1 (0.39) TK1ALDH1A1UPP1DAOMAPT
SCHEMBL13384415 0.74 HPGD (0.66) TK1HPGDDAO
SCHEMBL127842 0.73 ALDH1A1 (0.40) TK1ALDH1A1HPGDUPP1MAPT
SCHEMBL6722443 0.70 HPGD (0.68) TK1ALDH1A1HPGDUPP1
SCHEMBL8426874 0.70 ALDH1A1 (0.46) TK1ALDH1A1HPGDDAOMAPT
SCHEMBL1288013 0.69 UPP1 (0.59) TK1ALDH1A1HPGDUPP1DAO
SCHEMBL1287949 0.68 HTT (0.36) UPP1HSD17B10SMN1; SMN2

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