SCHEMBL7535480

SCHEMBL7535480

CCOCn1cc(C(C)C)c(=O)[nH]c1=S

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.30
MPO P05164 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1287949 0.86 HTT (0.36) SMN1; SMN2KMT2A
SCHEMBL7540000 0.81 TK1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL7534620 0.80 UPP1 (0.35) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL7541259 0.78 DUT (0.54)
SCHEMBL13384443 0.73 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL13384426 0.71 UPP1 (0.39) KMT2A
SCHEMBL9016400 0.71 UPP1 (0.53)
SCHEMBL20870268 0.70 GRIA1 (0.38) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12341287 0.70 HTT (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL7213480 0.69 PKM (0.46)

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