SCHEMBL8526539

SCHEMBL8526539

CNC(=O)C(=NOC)c1ccccc1COc1ccc(C2CCc3cc(F)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
SCN3A Q9NY46 2/20 0.40
KCNH2 Q12809 2/20 0.40
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL8530604 0.90 HIF1A (0.50) HIF1ASCN3AKCNH2CD274
SCHEMBL8528118 0.90 HIF1A (0.46) HIF1AKCNH2
SCHEMBL8529479 0.84 MAPK1 (0.47) HIF1AKCNH2KMT2A
SCHEMBL8529279 0.83 HIF1A (0.45) HIF1ASCN3AKCNH2
SCHEMBL8371601 0.83 HIF1A (0.55) HIF1AFFAR4PARP14PARP10MEN1
SCHEMBL8371602 0.83 HIF1A (0.55) HIF1AFFAR4PARP14PARP10MEN1
SCHEMBL8399074 0.83 HIF1A (0.55) HIF1AFFAR4PARP14PARP10MEN1
SCHEMBL8399234 0.81 HIF1A (0.64) HIF1ASLC6A2SLC6A4SLC6A3PARP14
SCHEMBL8399228 0.81 HIF1A (0.64) HIF1ASLC6A2SLC6A4SLC6A3PARP14
SCHEMBL8369603 0.79 HIF1A (0.57) HIF1APARP14PARP10MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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