SCHEMBL9865339

SCHEMBL9865339

CC[S+]([O-])c1sc(C(C)=O)c(OC)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRAF P15056 1/20 0.31
MEN1 O00255 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
ADORA2A P29274 1/20 0.30
MAPT P10636 2/20 0.30
IMPDH2 P12268 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL9865077 0.85 KDM4E (0.32) FNTAFNTBALDH1A1KDM4EL3MBTL1
SCHEMBL9866055 0.81 LMNA (0.42) FNTAFNTBALDH1A1KDM4EHPGD
SCHEMBL9865382 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL9866197 0.81 L3MBTL1 (0.32) ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL9864464 0.79
SCHEMBL9864787 0.78
SCHEMBL9864658 0.77 GRIA4 (0.45) FNTAFNTBALDH1A1KDM4EHPGD
SCHEMBL9865338 0.73 MEN1 (0.41) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL9865152 0.72 L3MBTL1 (0.45) FNTAFNTBALDH1A1KDM4EHPGD
SCHEMBL9865169 0.72 MAPT (0.30) MAPT

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