SCHEMBL8666490

SCHEMBL8666490

O=C1C(O)OCN1c1cccc(OC(F)C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FADS1 O60427 1/20 0.33
ROCK2 O75116 1/20 0.33
MAPT P10636 3/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HCRTR1 O43613 1/20 0.31
TOP2A P11388 1/20 0.31
DRD2 P14416 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
SCHEMBL8096256 0.90 ROCK2 (0.39) KMT2AROCK2HCRTR1TOP2A
SCHEMBL8093681 0.80 NOTUM (0.45) ROCK2HCRTR1TOP2ADRD2DRD3
SCHEMBL8666484 0.77 GRM2 (0.41) HCRTR1DRD2DRD3
SCHEMBL8666480 0.76 DRD2 (0.37) KMT2AFADS1HCRTR1DRD2DRD3
SCHEMBL5827283 0.74 MEN1 (0.46) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL8670349 0.73 KMT2A (0.33) KMT2AALDH1A1FADS1ROCK2MAPT
SCHEMBL6508236 0.72 ROCK2 (0.38) KMT2AALDH1A1ROCK2HCRTR1TOP2A
SCHEMBL8089006 0.68 TSHR (0.36)
SCHEMBL8082052 0.67 SLC6A2 (0.45) KMT2AMAPTMEN1
SCHEMBL8090197 0.66 ALDH1A1 (0.35) KMT2AALDH1A1MAPTMEN1HSD17B10

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
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed