SCHEMBL11250834

SCHEMBL11250834

Cc1ccc(-n2cc(C#N)c(=O)[nH]c2=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
HCAR1 Q9BXC0 1/20 0.42
COMT P21964 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL11257435 0.86 GAA (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11247286 0.86 KMT2A (0.51) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11253313 0.86 GAA (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11251632 0.86 GAA (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11246109 0.86 GAA (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11250334 0.84 GAA (0.51) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11258192 0.84 GAA (0.48) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11252191 0.84 L3MBTL1 (0.67) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11255788 0.84 L3MBTL1 (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL11246266 0.83 GAA (0.49) GAAL3MBTL1KMT2AMEN1ALDH1A1

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