SCHEMBL11271035

SCHEMBL11271035

Cc1cccc(O)c1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.35
GALR3 O60755 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DAO P14920 2/20 0.35
DDO Q99489 2/20 0.35
CYP1A2 P05177 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BCAT2 O15382 1/20 0.34
BCAT1 P54687 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
SCHEMBL11245190 0.90 GAA (0.63) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11258384 0.84 GAA (0.56) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11243717 0.84 GAA (0.56) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11249041 0.83 GAA (0.55) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11243626 0.82 GAA (0.57) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11274140 0.82 L3MBTL1 (0.56) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11249030 0.81 GAA (0.53) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11236304 0.81 GAA (0.54) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11237786 0.79 GAA (0.51) GAAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11256527 0.78 GAA (0.59) GAAKMT2AMEN1L3MBTL1SMN1; 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 1 patent. 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