SCHEMBL11244752

SCHEMBL11244752

CC(C)c1ccccc1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.36
GALR3 O60755 1/20 0.36
HPGD P15428 1/20 0.36
KDM5A P29375 3/20 0.34
DRD1 P21728 1/20 0.34
DAO P14920 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5D Q9BY66 1/20 0.34

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
SCHEMBL11241498 0.83 GAA (0.55) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11247042 0.82 GAA (0.58) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11264651 0.81 GAA (0.53) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11242927 0.79 GAA (0.51) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11256489 0.79 GAA (0.51) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11241946 0.79 GAA (0.51) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11258343 0.78 GAA (0.54) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11253505 0.78 L3MBTL1 (0.60) GAAL3MBTL1KMT2AMEN1MGLL
SCHEMBL11255750 0.78 L3MBTL1 (0.50) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11255759 0.77 GAA (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