SCHEMBL11250334

SCHEMBL11250334

CSc1ccc(-n2cc(C#N)c(=O)[nH]c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 1/20 0.35
GALR3 O60755 1/20 0.34
PDE3A Q14432 3/20 0.33
PDE4A P27815 2/20 0.33
PDE3B Q13370 2/20 0.33
BLM P54132 2/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 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
SCHEMBL11250834 0.84 GAA (0.52) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11247286 0.82 KMT2A (0.51) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11246109 0.82 GAA (0.50) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11253313 0.82 GAA (0.50) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11247073 0.80 L3MBTL1 (0.67) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11258192 0.80 GAA (0.48) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11252191 0.80 L3MBTL1 (0.67) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11255788 0.80 L3MBTL1 (0.50) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11247042 0.79 GAA (0.58) GAAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL11258343 0.75 GAA (0.54) GAAL3MBTL1KMT2AMEN1KDM4E

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