SCHEMBL8529014

SCHEMBL8529014

CNC(=O)C(=NOC)c1sccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
MAPK14 Q16539 1/20 0.38
KCNH2 Q12809 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
RCOR1 Q9UKL0 1/20 0.34
SLC6A1 P30531 3/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GID4 Q8IVV7 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
SCHEMBL8528118 0.86 HIF1A (0.46) MAPK1MAPK14KCNH2KDM1AMAOA
SCHEMBL8529479 0.81 MAPK1 (0.47) MAPK1MAPK14KCNH2HAO1HIF1A
SCHEMBL8526539 0.77 HIF1A (0.46) KCNH2HIF1AMEN1KMT2A
SCHEMBL8530604 0.77 HIF1A (0.50) KCNH2KDM1AMAOAMAOBHIF1A
SCHEMBL8536325 0.75 HIF1A (0.42) MAPK1MAPK14KCNH2KDM1AMAOA
SCHEMBL8537723 0.75 HAO1 (0.38) MAPK1MAPK14HAO1ALDH1A1MEN1
SCHEMBL8529279 0.75 HIF1A (0.45) KCNH2MAOBHIF1A
SCHEMBL7462516 0.73 MAPK1 (0.46) MAPK1MAPK14KCNH2KDM1AMAOA
SCHEMBL8534262 0.73 MAPK1 (0.39) MAPK1MAPK14KCNH2KDM1AMAOA
SCHEMBL7462453 0.73 MAPK1 (0.39) MAPK1MAPK14KCNH2KDM1AMAOA

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
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed