SCHEMBL9865512

SCHEMBL9865512

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.48
GRIA2 P42262 1/20 0.45
FNTA P49354 14/20 0.39
FNTB P49356 14/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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 0.82 GRIA4 (0.48) GRIA4FNTAFNTBALDH1A1KMT2A
SCHEMBL9864594 0.81 GRIA4 (0.47) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL9865433 0.77 GRIA4 (0.56) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL5758052 0.74 GRIA4 (0.64) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL9866049 0.74 GRIA4 (0.39) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL5757897 0.73 GRIA4 (0.40) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL1551995 0.71 GRIA4 (0.57) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL6644214 0.71 GRIA4 (0.47) GRIA4GRIA2ALDH1A1MAPK1HTT
SCHEMBL3818516 0.71 GRIA4 (0.57) GRIA4GRIA2FNTAFNTBALDH1A1
SCHEMBL1551473 0.70 GRIA4 (0.46) GRIA4GRIA2FNTAFNTBALDH1A1

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