SCHEMBL8528118

SCHEMBL8528118

CNC(=O)C(=NOC)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNH2 Q12809 2/20 0.39
HAO1 Q9UJM8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL8529479 0.95 MAPK1 (0.47) HIF1AMAPK1MAPK14KCNH2HAO1
SCHEMBL8530604 0.90 HIF1A (0.50) HIF1AKCNH2KDM1AMAOAMAOB
SCHEMBL8526539 0.90 HIF1A (0.46) HIF1AKCNH2
SCHEMBL8536325 0.88 HIF1A (0.42) HIF1AMAPK1MAPK14KCNH2HAO1
SCHEMBL8529279 0.88 HIF1A (0.45) HIF1AKCNH2MAOB
SCHEMBL8529014 0.86 MAPK1 (0.38) HIF1AMAPK1MAPK14KCNH2HAO1
SCHEMBL8527006 0.84 HIF1A (0.46) HIF1AKCNH2
SCHEMBL8527151 0.84 HIF1A (0.44) HIF1AKCNH2
SCHEMBL8539263 0.84 HIF1A (0.44) HIF1AKCNH2
SCHEMBL7462516 0.83 MAPK1 (0.46) MAPK1MAPK14KCNH2HAO1KDM4E

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