SCHEMBL11249030

SCHEMBL11249030

Cc1cccc(C(F)(F)F)c1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
AR P10275 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
BCAT2 O15382 5/20 0.37
BCAT1 P54687 5/20 0.37
ATM Q13315 1/20 0.35

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
SCHEMBL11245190 0.87 GAA (0.63) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11258384 0.84 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11271035 0.81 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11243717 0.81 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11249041 0.80 GAA (0.55) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11252647 0.80 GAA (0.48) GAAL3MBTL1KMT2AMEN1AR
SCHEMBL11274140 0.79 L3MBTL1 (0.56) GAAL3MBTL1KMT2AMEN1AR
SCHEMBL11243626 0.79 GAA (0.57) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11236304 0.78 GAA (0.54) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11237786 0.76 GAA (0.51) 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