SCHEMBL9865620

SCHEMBL9865620

CCSc1sc(C(C)=O)c(NC)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.45
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FNTA P49354 11/20 0.36
FNTB P49356 11/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9865335 0.81 GRIA4 (0.48) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL9865583 0.81 GRIA4 (0.48) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL9865423 0.79 MEN1 (0.48) GRIA4MAPTNPSR1L3MBTL1FNTA
SCHEMBL9864787 0.72
SCHEMBL4412987 0.72 GRIA4 (0.55) GRIA4FNTAFNTBKMT2AALDH1A1
SCHEMBL9865160 0.69 GRIA4 (0.49) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865479 0.67 MEN1 (0.44) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865072 0.65 GRIA4 (0.39) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865192 0.64 MEN1 (0.76) GRIA4MAPTNPSR1MEN1KMT2A
SCHEMBL9864884 0.64 GRIA4 (0.40) GRIA4MAPTMEN1KMT2AALDH1A1

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