SCHEMBL8430823

SCHEMBL8430823

CCOCn1c([Se]c2cc(F)cc(F)c2)c(CC)c(=O)[nH]c1=S

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL8429653 0.88 SMN1; SMN2 (0.35)
SCHEMBL7541334 0.87 GAA (0.33) SIRT2SIRT1
SCHEMBL8429024 0.84 MPO (0.31) MPO
SCHEMBL8426995 0.84 SIRT2 (0.40) SIRT2SIRT1
SCHEMBL8430921 0.81 ALDH1A1 (0.34) MPOSIRT2SIRT1
SCHEMBL9016439 0.77 HTT (0.33)
SCHEMBL7534089 0.75 SMN1; SMN2 (0.35)
SCHEMBL7534059 0.75 ALDH1A1 (0.46) SIRT2SIRT1
SCHEMBL9016377 0.74 ALDH1A1 (0.47) SIRT2SIRT1
SCHEMBL7532995 0.72 GAA (0.32)

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