SCHEMBL8526565

SCHEMBL8526565

CNC(=O)C(=NOC)c1ccccc1COc1ccc(C2CCCc3ccccc32)cc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 8/20 0.41
GID4 Q8IVV7 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36

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 0.88 MAPK1 (0.47) KMT2AHIF1AGID4HAO1MAPK1
SCHEMBL8528118 0.83 HIF1A (0.46) HIF1AHAO1MAPK1MAPK14KDM4E
SCHEMBL8370194 0.79 HIF1A (0.50) LMNAHIF1A
SCHEMBL8370193 0.79 HIF1A (0.50) LMNAHIF1A
SCHEMBL8397931 0.79 HIF1A (0.50) LMNAHIF1A
SCHEMBL6457931 0.77 HIF1A (0.52) HIF1A
SCHEMBL6457937 0.77 HIF1A (0.52) HIF1A
SCHEMBL8369903 0.77 HIF1A (0.52) HIF1A
SCHEMBL8529279 0.77 HIF1A (0.45) HIF1A
SCHEMBL7221376 0.76 HIF1A (0.50) HIF1A

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