SCHEMBL8529479

SCHEMBL8529479

CNC(=O)C(=NOC)c1ccccc1COc1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MAPK14 Q16539 1/20 0.47
HIF1A Q16665 7/20 0.44
HAO1 Q9UJM8 1/20 0.43
GID4 Q8IVV7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38
TAOK1 Q7L7X3 2/20 0.38

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 0.95 HIF1A (0.46) MAPK1MAPK14HIF1AHAO1KDM4E
SCHEMBL8526565 0.88 KMT2A (0.42) MAPK1MAPK14HIF1AHAO1GID4
SCHEMBL8530604 0.84 HIF1A (0.50) HIF1AKCNH2
SCHEMBL8526539 0.84 HIF1A (0.46) HIF1AKMT2AKCNH2
SCHEMBL8529279 0.84 HIF1A (0.45) HIF1AKCNH2
SCHEMBL8536325 0.83 HIF1A (0.42) MAPK1MAPK14HIF1AHAO1KMT2A
SCHEMBL8527006 0.83 HIF1A (0.46) HIF1AKCNH2
SCHEMBL8527151 0.82 HIF1A (0.44) HIF1AKCNH2
SCHEMBL8539263 0.82 HIF1A (0.44) HIF1AKCNH2
SCHEMBL8529014 0.81 MAPK1 (0.38) MAPK1MAPK14HIF1AHAO1GID4

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