SCHEMBL5287445

SCHEMBL5287445

C=CCNC(=O)CN(CC=C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
FAAH O00519 1/20 0.42
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 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
SCHEMBL6888167 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTTSHRFAAHALDH1A1
SCHEMBL7790047 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTSHRFAAHALDH1A1
SCHEMBL166343 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTSHRFAAHALDH1A1
SCHEMBL6372267 0.77 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1
SCHEMBL6210788 0.77 ALDH1A1 (0.45) SMN1; SMN2MAPTALDH1A1
SCHEMBL173228 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPTTSHRALDH1A1GAA
SCHEMBL11616346 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPTTSHRALDH1A1GAA
SCHEMBL29120276 0.76 TSHR (0.40) SMN1; SMN2MAPTTSHRFAAHALDH1A1
SCHEMBL4073329 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTSHRFAAHALDH1A1
SCHEMBL2782621 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTTSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN claimed
EP-1791816-A1 IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS Bayer CropScience Aktiengesellschaft (DE) 2007-06-06 EP disclosed
WO-2006029799-A1 IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS BAYER CROPSCIENCE AG (DE) 2006-03-23 WO disclosed
CN-1407854-A N-aryi-uracile-based herbicides BAYER AG (DE) 2003-04-02 CN disclosed