SCHEMBL8720211

SCHEMBL8720211

CON=C(C(C)=NO)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 3/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
NOS1 P29475 1/20 0.33
TYMP P19971 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 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
SCHEMBL8501552 0.82 TRPA1 (0.43) GSK3BSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL7859294 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AHTTMAPT
SCHEMBL8499333 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AHTTMAPT
SCHEMBL7609636 0.82 TRPA1 (0.43) GSK3BSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL8460844 0.81 GAA (0.41) SMN1; SMN2ALDH1A1KMT2AL3MBTL1HTT
SCHEMBL5597826 0.81 GAA (0.41) SMN1; SMN2ALDH1A1KMT2AL3MBTL1HTT
SCHEMBL8723236 0.81 HTT (0.41) GSK3BSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL7864543 0.78 ALDH1A1 (0.40) GSK3BSMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL7522304 0.78 PTGS1 (0.39) GSK3BSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL7873407 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTPOLB

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
WO-1998028262-A1 O-BENZYL OXIME ETHER DERIVATIVES AS PECTICIDES NOVARTIS AG (CH) 1998-07-02 WO disclosed