SCHEMBL9865433

SCHEMBL9865433

CSc1sc(C(=O)c2ccccc2)c(O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 11/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
USP2 O75604 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRIA2 P42262 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 5/20 0.44
LMNA P02545 5/20 0.44
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9865632 0.85 MEN1 (0.70) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9865517 0.83 MEN1 (0.55) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9865512 0.77 GRIA4 (0.48) GRIA4MEN1KMT2AALDH1A1HPGD
SCHEMBL10653341 0.74 GRIA4 (0.94) GRIA4KMT2AALDH1A1KDM4EMAPT
SCHEMBL9865083 0.73 KDM4E (0.53) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL6800185 0.72 KMT2A (0.54) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL6802135 0.72 ALDH1A1 (0.64) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL9865192 0.71 MEN1 (0.76) GRIA4MEN1KMT2AALDH1A1KDM4E
SCHEMBL11103886 0.71 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3126194 0.69 GRIA4 (0.80) GRIA4KMT2AGRIA2FNTAFNTB

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