SCHEMBL9865335

SCHEMBL9865335

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.48
ALDH1A1 P00352 7/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL9865583 0.84 GRIA4 (0.48) GRIA4ALDH1A1KDM4EHPGDMAPT
SCHEMBL9865423 0.83 MEN1 (0.48) GRIA4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL9865620 0.81 GRIA4 (0.45) GRIA4ALDH1A1KDM4EHPGDMAPT
SCHEMBL6603961 0.79 GRIA4 (0.62) GRIA4ALDH1A1KDM4EHPGDGAA
SCHEMBL16863715 0.74 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10MAPK1KDM4E
SCHEMBL9865456 0.73 L3MBTL1 (0.55) GRIA4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL9865160 0.72 GRIA4 (0.49) GRIA4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL11746774 0.71 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10MAPK1KDM4E
SCHEMBL9865479 0.70 MEN1 (0.44) GRIA4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL12082799 0.69 ADORA2A (0.38) ALDH1A1TSHRHSD17B10MAPK1KDM4E

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