SCHEMBL6423993

SCHEMBL6423993

CC(=O)COC(=O)COc1ccc(Cl)c2nccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL342125 0.84 PKM (0.66) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL30026873 0.84 PKM (0.66) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL341900 0.84 LMNA (0.54) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL342666 0.81 ALDH1A1 (0.46) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1830308 0.79 TDP1 (0.54) PKMMAPTKDM4EALDH1A1HPGD
SCHEMBL9065682 0.75 PKM (0.63) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL17859581 0.73 PKM (0.74) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2978955 0.73 MAPT (0.65) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL342559 0.72 PKM (0.67) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29514385 0.72 PKM (0.67) PKMMAPTSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561378-A2 Selective herbicides based upon arylsulfonylaminocarbonyltriazolinones Bayer CropScience AG (DE) 2005-08-10 EP disclosed