SCHEMBL9865352

SCHEMBL9865352

CSc1sc(C#N)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PNMT P11086 2/20 0.31
USP7 Q93009 1/20 0.31
GRIA4 P48058 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9865863 0.79 PKM (0.36) KDM4EUSP7GRIA4HSD17B10
SCHEMBL9864602 0.72 KEAP1 (0.35) KEAP1NFE2L2USP7GRIA4
SCHEMBL9865123 0.72 KEAP1 (0.35) KEAP1NFE2L2USP7GRIA4
SCHEMBL9864443 0.72 USP7 (0.57) KEAP1NFE2L2KDM4EUSP7GRIA4
SCHEMBL741497 0.72 KEAP1 (0.71) KEAP1NFE2L2KDM4EUSP7GRIA4
SCHEMBL10738993 0.71 VCAM1 (0.39) USP7GRIA4
SCHEMBL6928589 0.69 KEAP1 (0.53) KEAP1NFE2L2KDM4EUSP7
SCHEMBL1998846 0.69 PNMT (0.33) PNMT
SCHEMBL10532548 0.67 PNMT (0.32) KDM4EPNMTHSD17B10
SCHEMBL742310 0.66 L3MBTL1 (0.50) KEAP1NFE2L2KDM4EUSP7HSD17B10

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