SCHEMBL4785348

SCHEMBL4785348

NC(O)=S.OC(=S)Nc1ncco1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
FFAR2 O15552 1/20 0.36
LRRK2 Q5S007 1/20 0.33
NAMPT P43490 1/20 0.33
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
PIK3C2A O00443 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
SCHEMBL3079956 0.94
SCHEMBL5462458 0.84
SCHEMBL1259566 0.76
SCHEMBL3073132 0.76
SCHEMBL3080333 0.76
SCHEMBL3070030 0.74
SCHEMBL27924620 0.72 EPHX2 (0.38) EPHX2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4436899 0.70 EPHX2 (0.40) EPHX2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL3262436 0.68
SCHEMBL18072257 0.68

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092945-A1 ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed