SCHEMBL9865072

SCHEMBL9865072

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.39
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9865060 0.73
SCHEMBL9864884 0.72 GRIA4 (0.40) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9864663 0.69 GRIA4 (0.37) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9864520 0.69 GRIA4 (0.37) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL27275990 0.69
SCHEMBL9865583 0.68 GRIA4 (0.48) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9865335 0.68 GRIA4 (0.48) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9865423 0.67 MEN1 (0.48) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL9865620 0.65 GRIA4 (0.45) GRIA4ALDH1A1MEN1KMT2AMAPT
SCHEMBL6603961 0.61 GRIA4 (0.62) GRIA4ALDH1A1KMT2AHPGDKDM4E

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