SCHEMBL9865077

SCHEMBL9865077

COc1c(C(C)=O)sc([S+](C)[O-])c1C#N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MELK Q14680 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9865339 0.85 FNTA (0.32) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9865169 0.83 MAPT (0.30) MAPT
SCHEMBL9866096 0.81 ALDH1A1 (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1RXFP1
SCHEMBL9866329 0.79
SCHEMBL3401686 0.73 ALDH1A1 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1RXFP1
SCHEMBL9865673 0.73 FNTA (0.48) MAPTRAB9AFNTAFNTBALDH1A1
SCHEMBL4418655 0.68 FNTA (0.34) FNTAFNTB
SCHEMBL9865266 0.67 L3MBTL1 (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9866055 0.67 LMNA (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9865338 0.67 MEN1 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1RXFP1

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