SCHEMBL9865562

SCHEMBL9865562

CCCC[S+]([O-])c1sc(C(C)=O)c(Cl)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9865408 0.92 L3MBTL1 (0.33) L3MBTL1
SCHEMBL9866197 0.87 L3MBTL1 (0.32) L3MBTL1ALDH1A1HPGD
SCHEMBL9866108 0.85 L3MBTL1 (0.34) L3MBTL1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9864536 0.85 ALDH1A1 (0.32) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9865543 0.80
SCHEMBL9866329 0.79
SCHEMBL9865973 0.77 ALDH1A1 (0.38) L3MBTL1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9865257 0.76 L3MBTL1 (0.35) L3MBTL1ALDH1A1HPGD
SCHEMBL9865594 0.75
SCHEMBL9864872 0.75

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