SCHEMBL9865809

SCHEMBL9865809

CC[S+]([O-])c1sc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP47 Q96K76 6/20 0.49
USP7 Q93009 9/20 0.45
PADI4 Q9UM07 1/20 0.44
USP10 Q14694 2/20 0.41
HCAR3 P49019 4/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10747018 0.83 USP47 (0.52) USP47USP7PADI4USP10HCAR3
SCHEMBL9865166 0.73 USP7 (0.40) USP7GAATSHR
SCHEMBL10252646 0.73 USP47 (0.54) USP47USP7PADI4USP10MAPT
SCHEMBL10747385 0.72 USP47 (0.47) USP47USP7PADI4USP10MAPT
SCHEMBL2681764 0.71 USP7 (0.60) USP47USP7PADI4USP10TSHR
SCHEMBL2681454 0.71 USP7 (0.58) USP47USP7PADI4USP10MAPT
SCHEMBL11259653 0.71 USP47 (0.52) USP47USP7PADI4USP10GAA
SCHEMBL10533619 0.71 USP47 (0.52) USP47USP7PADI4USP10MAPT
SCHEMBL10744151 0.70 USP10 (0.53) USP10MAPT
SCHEMBL10740022 0.69 USP47 (0.65) USP47USP7PADI4USP10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4649154-A AGRICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1987-03-10 US claimed
US-4451660-A AGRICULTURE, HORTICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-05-29 US claimed
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed
US-4649154-A AGRICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1987-03-10 US disclosed
US-4451660-A AGRICULTURE, HORTICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-05-29 US disclosed