SCHEMBL17802488

SCHEMBL17802488

Cn1c(CNC(=O)OC(C)(C)C)nc2cc(C(=O)O)cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
BRD4 O60885 5/20 0.42
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
MAPT P10636 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4A O75164 1/20 0.37
GFER P55789 3/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL16332510 0.77 KDM4E (0.46) KDM4ELMNABRD4POLBMAPK1
SCHEMBL1715909 0.75 CACNA1H (0.47) KDM4ELMNABRD4MAPTKDM4A
SCHEMBL31565511 0.73 NAMPT (0.43) KDM4ELMNAMAPTKDM4AGFER
SCHEMBL15862073 0.72 NAMPT (0.39) KDM4ELMNAMAPTKDM4ASTK17B
SCHEMBL2022140 0.72 HDAC6 (0.52) KDM4EBRD4POLBMAPTHSD17B10
SCHEMBL28842745 0.72 KDM4E (0.48) KDM4ELMNABRD4POLBMAPK1
SCHEMBL7970926 0.72 DHODH (0.46) KDM4ELMNABRD4POLBMAPK1
SCHEMBL28366489 0.72 MAPT (0.70) KDM4ELMNABRD4MAPTL3MBTL1
SCHEMBL30466612 0.72 MAPT (0.70) KDM4ELMNABRD4MAPTL3MBTL1
SCHEMBL7153464 0.70 MAPT (0.49) KDM4ELMNABRD4POLBMAPK1

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
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed