SCHEMBL9865160

SCHEMBL9865160

CCCSc1sc(C(C)=O)c(N)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.49
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.42
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.35
MELK Q14680 2/20 0.34
MAPK8 P45983 1/20 0.34
PKM P14618 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9865479 0.92 MEN1 (0.44) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865423 0.88 MEN1 (0.48) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865755 0.81 MEN1 (0.73) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9864594 0.80 GRIA4 (0.47) GRIA4MAPTNPSR1MEN1KMT2A
SCHEMBL9864830 0.80 ALDH1A1 (0.68) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865714 0.77 ALDH1A1 (0.47) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL16792140 0.77 GRIA4 (0.64) GRIA4MAPTNPSR1L3MBTL1KMT2A
SCHEMBL9865457 0.74 MEN1 (0.70) GRIA4MAPTNPSR1L3MBTL1MEN1
SCHEMBL9865456 0.72 L3MBTL1 (0.55) GRIA4L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9865583 0.72 GRIA4 (0.48) GRIA4MAPTNPSR1L3MBTL1MEN1

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