SCHEMBL9866049

SCHEMBL9866049

CSc1sc(C#N)c(O)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.39
GRIA2 P42262 1/20 0.36
CNKSR1 Q969H4 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL9864884 0.79 GRIA4 (0.40) GRIA4ALDH1A1
SCHEMBL9865499 0.77 ALDH1A1 (0.47) GRIA4ALDH1A1HTTKDM4ENPSR1
SCHEMBL9865512 0.74 GRIA4 (0.48) GRIA4GRIA2MAPK1ALDH1A1HTT
SCHEMBL9864823 0.74 ALDH1A1 (0.39) GRIA4ALDH1A1HTTKDM4ENPSR1
SCHEMBL9866387 0.73 GRIA4 (0.34) GRIA4GRIA2CCNCCDK8CDK19
SCHEMBL9865380 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1
SCHEMBL9864453 0.67 GRIA4 (0.45) GRIA4GRIA2CCNCCDK8CDK19
SCHEMBL9865433 0.67 GRIA4 (0.56) GRIA4GRIA2MAPK1ALDH1A1HTT
SCHEMBL3137621 0.64 GRIA4 (0.68) GRIA4GRIA2CCNCCDK8CDK19
SCHEMBL5639428 0.64 ALDH1A1 (0.50) GRIA4GRIA2CCNCCDK8CDK19

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