SCHEMBL11246044

SCHEMBL11246044

Cc1c(F)cc(F)cc1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 4/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GALR3 O60755 1/20 0.33
AR P10275 1/20 0.32
DRD1 P21728 1/20 0.32
PGR P06401 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
PDE5A O76074 1/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL11247675 0.81 L3MBTL1 (0.48) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11248770 0.80 GAA (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11251632 0.79 GAA (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11246109 0.79 GAA (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11246266 0.78 GAA (0.49) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11249755 0.76 GAA (0.47) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11242927 0.75 GAA (0.51) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL8888395 0.74 L3MBTL1 (0.46) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11241468 0.74 L3MBTL1 (0.46) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11256527 0.73 GAA (0.59) GAAL3MBTL1KMT2AMEN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338318-A FUNGICIDE OR BACERICIDE TO TREAT PLANT DISEASES WITH A PHENYL URACIL ZOECON CORPORATION (US) 1982-07-06 US disclosed
US-4297297-A α-Cyano-β-(substituted-anilino)-N-ethoxycarbonylacrylamide intermediates ZOECON CORP. (US) 1981-10-27 US disclosed
US-4266056-A FUNGICIDES, BACTERICIDES ZOECON CORPORATION (US) 1981-05-05 US disclosed