SCHEMBL8525706

SCHEMBL8525706

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)cc1-n1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HCRTR1 O43613 4/20 0.37
MAPT P10636 1/20 0.36
HCRTR2 O43614 3/20 0.35
MLYCD O95822 1/20 0.35
SCN9A Q15858 2/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8525868 0.89 LMNA (0.37) LMNAPOLBHCRTR1HCRTR2MLYCD
SCHEMBL8524334 0.87 HCRTR2 (0.43) HCRTR1MAPTHCRTR2MLYCDPTGDR2
SCHEMBL8524086 0.85 NR1H4 (0.40) LMNAPOLBHCRTR1HCRTR2HTT
SCHEMBL8524250 0.85 LMNA (0.37) LMNAPOLBHCRTR1MAPTHCRTR2
SCHEMBL8817056 0.84 MLYCD (0.41) LMNAPOLBMAPTMLYCDPTGDR2
SCHEMBL8525222 0.84 HCRTR2 (0.36) LMNAHCRTR1MAPTHCRTR2HTT
SCHEMBL8488086 0.83 MLYCD (0.40) LMNAPOLBMAPTMLYCDPTGDR2
SCHEMBL8524835 0.83 HCRTR2 (0.34) LMNAHCRTR1MAPTHCRTR2HTT
SCHEMBL8525068 0.83 HCRTR2 (0.35) LMNAHCRTR1MAPTHCRTR2HTT
SCHEMBL8490879 0.82 ALDH1A1 (0.38) LMNAHCRTR1MAPTHCRTR2HTT

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
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed