SCHEMBL9865808

SCHEMBL9865808

CSc1sc2cccc(Cl)c2c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.43
GRIA4 P48058 2/20 0.39
MAPK1 P28482 3/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GALR3 O60755 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
GRIA2 P42262 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
OGG1 O15527 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KCNQ1 P51787 1/20 0.33
CACNA1C Q13936 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
SCHEMBL9865595 0.73 PSMB8 (0.38) PSMB8MAPK1MCL1KDM4EALDH1A1
SCHEMBL9016796 0.69 GRIA4 (0.45) GRIA4MAPK1KDM4EALDH1A1MAPT
SCHEMBL8494974 0.67 KDM4E (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31568860 0.67 MAPK1 (0.53) PSMB8MAPK1MCL1KDM4EALDH1A1
SCHEMBL9788746 0.66 KDM4E (0.43) PSMB8MAPK1MCL1KDM4EALDH1A1
SCHEMBL10654269 0.65 ALDH1A1 (0.47) GRIA4KDM4EALDH1A1MAPTMEN1
Dichlobenil SCHEMBL55606 0.64 ALDH1A1 (0.55) PSMB8MAPK1KDM4EALDH1A1MAPT
Dichlobenil SCHEMBL1701380 0.64 ALDH1A1 (0.55) PSMB8MAPK1KDM4EALDH1A1MAPT
Dichlobenil SCHEMBL10737856 0.62 ALDH1A1 (0.53) PSMB8MAPK1KDM4EALDH1A1MAPT
Dichlobenil SCHEMBL28232070 0.62 ALDH1A1 (0.53) PSMB8MAPK1KDM4EALDH1A1MAPT

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