SCHEMBL4436899

SCHEMBL4436899

O=[Mo+2]=O.S=C([S-])Nc1ncco1.S=C([S-])Nc1ncco1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
FFAR2 O15552 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
NAMPT P43490 1/20 0.34
PSMD14 O00487 1/20 0.34
STAMBP O95630 1/20 0.34
COPS5 Q92905 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL3079956 0.75
SCHEMBL5462458 0.73
SCHEMBL3080333 0.73
SCHEMBL3070030 0.71
SCHEMBL4785348 0.70 EPHX2 (0.39) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL1259566 0.69
SCHEMBL18072257 0.69
SCHEMBL3262436 0.69
SCHEMBL27924620 0.69 EPHX2 (0.38) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL26546183 0.67 EPHX2 (0.53) EPHX2FFAR2CSNK2A2CSNK2BCSNK2A1

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
EP-2125762-B1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INT RESEARCH (NL) 2013-12-11 EP disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed