SCHEMBL9864134

SCHEMBL9864134

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL9865166 0.86 USP7 (0.40) USP7ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL9876796 0.79
SCHEMBL9864770 0.79 USP7 (0.42) USP7SMN1; SMN2L3MBTL1KDM4ECLK1
SCHEMBL9865703 0.74 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL9865562 0.70 L3MBTL1 (0.32) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL9864536 0.70 ALDH1A1 (0.32) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9866108 0.70 L3MBTL1 (0.34) ALDH1A1TSHRHPGDSMN1; SMN2L3MBTL1
SCHEMBL16863728 0.70 USP7 (0.47) USP7ALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL9865219 0.70
SCHEMBL9865076 0.69 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2L3MBTL1KDM4E

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