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 — —
SCHEMBL3080333 0.76 — —
SCHEMBL3073132 0.76 — —
SCHEMBL1259566 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
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