SCHEMBL8430830

SCHEMBL8430830

Cc1cc(C)cc([Se]c2c(C(C)C)c(=O)[nH]c(=S)n2COCCO)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.33
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
EDNRA P25101 1/20 0.30
HTR2A P28223 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9016475 0.90 KDM4E (0.32) PNPHTT
SCHEMBL8430886 0.89 UPP1 (0.35) PNPHTT
SCHEMBL7532995 0.88 GAA (0.32)
SCHEMBL8428848 0.86 UPP1 (0.37) PNPUSP2TSHREDNRAHTR2A
SCHEMBL9016439 0.84 HTT (0.33) PNPHTT
SCHEMBL8426980 0.83 MAPT (0.32)
SCHEMBL7533007 0.83 ALDH1A1 (0.45) HSD17B10
SCHEMBL9016457 0.80 UPP1 (0.38) PNPTSHR
SCHEMBL8760191 0.79 PNP (0.33) PNPHTTUSP2TSHREDNRA
SCHEMBL8428993 0.78 KDM4E (0.34)

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