SCHEMBL7804185

SCHEMBL7804185

COC(=O)Oc1ccc2c(c1C)SCC2=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
CUL4A Q13619 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7501617 0.86 KDM4E (0.40) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL7980013 0.77 MAPT (0.38) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL6970278 0.74 KDM4E (0.37) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL7813372 0.71 KDM4E (0.38) KDM4EHPGDHTTALDH1A1MEN1
SCHEMBL7997554 0.71 SLC22A6 (0.35) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL15515252 0.70 KDM4E (0.36) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL6980246 0.69 RARA (0.36) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL7809913 0.69 KDM4E (0.33) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL984617 0.68 NCEH1 (0.46) KDM4EHPGDHSD17B10MAPTHTT
SCHEMBL17451426 0.64 KDM4E (0.54) KDM4EHPGDHSD17B10MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961774-B1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AG (DE) 2001-12-12 EP disclosed
WO-1997019071-A1 2-CYANO-1,3-DIONE DERIVATIVES, THE PRODUCTION OF SAME AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed