SCHEMBL9865166

SCHEMBL9865166

CC[S+]([O-])c1sc(C(C)=O)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
TSHR P16473 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
SCHEMBL9864134 0.86 USP7 (0.37) USP7L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9864770 0.83 USP7 (0.42) USP7L3MBTL1KDM4ESMN1; SMN2
SCHEMBL9865076 0.81 ALDH1A1 (0.42) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9865138 0.79 MAPT (0.38) USP7ALDH1A1SMN1; SMN2TSHR
SCHEMBL9864883 0.76
SCHEMBL9865809 0.73 USP47 (0.49) USP7GAATSHR
SCHEMBL16863728 0.71 USP7 (0.47) USP7L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9865510 0.70 USP7 (0.41) USP7L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL9864443 0.67 USP7 (0.57) USP7KDM4EGAASMN1; SMN2
SCHEMBL9865382 0.67 ALDH1A1 (0.36) L3MBTL1ALDH1A1KDM4EGAATSHR

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-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