SCHEMBL16958482

SCHEMBL16958482

C=C[C](C)c1cccc(OC(F)F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPD P32754 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CCR6 P51684 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 3/20 0.32
RAB9A P51151 2/20 0.32
CYP11B1 P15538 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL16961870 0.88 IRAK4 (0.40) KMT2AMEN1HPDL3MBTL1HPGD
SCHEMBL16962571 0.85 ALDH1A1 (0.37) KMT2AMEN1HPDHCRTR1HCRTR2
SCHEMBL16955285 0.85 TDP1 (0.44) KMT2AMEN1L3MBTL1HPGDGAA
SCHEMBL16951761 0.82 ADORA2A (0.36) KMT2AMEN1HPDL3MBTL1HPGD
SCHEMBL16958739 0.80 HPD (0.40) KMT2AMEN1HPDL3MBTL1HCRTR1
SCHEMBL16951139 0.80 HPD (0.36) KMT2AMEN1HPDHCRTR1HCRTR2
SCHEMBL16956611 0.78 HPD (0.39) KMT2AMEN1HPDHPGDALDH1A1
SCHEMBL16960079 0.77 GAA (0.36) KMT2AL3MBTL1HCRTR1HCRTR2HPGD
SCHEMBL16954782 0.77 ALDH1A1 (0.38) KMT2AMEN1HPGDGAAALDH1A1
SCHEMBL16956123 0.76 MEN1 (0.44) KMT2AMEN1L3MBTL1CCR6GAA

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed