SCHEMBL11243558

SCHEMBL11243558

COc1cc(C)c(-n2cc(C#N)c(=O)[nH]c2=O)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ESRRA P11474 1/20 0.36
ESR2 Q92731 1/20 0.36
DRD1 P21728 2/20 0.35
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
GALR3 O60755 1/20 0.33
HPGD P15428 1/20 0.33
IDH1 O75874 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
SCHEMBL11250370 0.91 L3MBTL1 (0.57) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11247752 0.86 GAA (0.52) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11251532 0.83 GAA (0.50) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11248770 0.83 GAA (0.50) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11255920 0.83 L3MBTL1 (0.80) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11252191 0.83 L3MBTL1 (0.67) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11255801 0.82 GAA (0.49) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11245190 0.80 GAA (0.63) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11104497 0.78 L3MBTL1 (0.53) L3MBTL1GAAKMT2AMEN1KDM4E
SCHEMBL11274140 0.78 L3MBTL1 (0.56) L3MBTL1GAAKMT2AMEN1KDM4E

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