SCHEMBL11255801

SCHEMBL11255801

Cc1cc(C(C)(C)C)cc(C)c1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 7/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GALR3 O60755 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CYP2C19 P33261 2/20 0.33
PDE4A P27815 2/20 0.33
PDE3A Q14432 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL11247752 0.87 GAA (0.52) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11248770 0.84 GAA (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11251532 0.84 GAA (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11243558 0.82 L3MBTL1 (0.64) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11245190 0.81 GAA (0.63) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11244000 0.79 L3MBTL1 (0.67) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11236304 0.77 GAA (0.54) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11250343 0.75 GAA (0.49) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11250370 0.75 L3MBTL1 (0.57) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11255788 0.74 L3MBTL1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358591-A BACTERICIDES, FUNGICIDES; PLANT DISEASES ZOECON CORPORATION (US) 1982-11-09 US disclosed
US-4338318-A FUNGICIDE OR BACERICIDE TO TREAT PLANT DISEASES WITH A PHENYL URACIL ZOECON CORPORATION (US) 1982-07-06 US disclosed
US-4307098-A 2-PHENYL-URACIL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-22 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