SCHEMBL3672737

SCHEMBL3672737

C=C[CH]NC(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SLC1A3 P43003 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7513100 0.85 RAD51 (0.50) RAD51ALDH1A1MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27496206 0.83 RAD51 (0.49) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL7452718 0.79 RAD51 (0.51) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL27953310 0.77 RAD51 (0.50) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL1416168 0.77 ALDH1A1 (0.51) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL14854944 0.77 RAD51 (0.50) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL27570159 0.77 RAD51 (0.50) RAD51ALDH1A1MAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27800884 0.77 RAD51 (0.50) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL7895786 0.76 RAD51 (0.53) RAD51ALDH1A1MAPTMEN1KMT2A
SCHEMBL28406853 0.74 ALDH1A1 (0.49) RAD51ALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-21 EP disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 WO disclosed