SCHEMBL8530604

SCHEMBL8530604

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.50
SCN3A Q9NY46 2/20 0.36
KCNH2 Q12809 1/20 0.36
OPRL1 P41146 2/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
GRIN2C Q14957 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
SCHEMBL8526539 0.90 HIF1A (0.46) HIF1ASCN3AKCNH2CD274
SCHEMBL8528118 0.90 HIF1A (0.46) HIF1AKCNH2KDM1AMAOAMAOB
SCHEMBL8529479 0.84 MAPK1 (0.47) HIF1AKCNH2
SCHEMBL8529279 0.83 HIF1A (0.45) HIF1ASCN3AKCNH2MAOB
SCHEMBL8369617 0.83 HIF1A (0.62) HIF1AOPRL1MAOAMAOB
SCHEMBL8369619 0.83 HIF1A (0.62) HIF1AOPRL1MAOAMAOB
SCHEMBL6451814 0.80 HIF1A (0.65) HIF1AOPRL1MAOAMAOB
SCHEMBL8368443 0.80 HIF1A (0.65) HIF1AOPRL1MAOAMAOB
SCHEMBL6451811 0.80 HIF1A (0.65) HIF1AOPRL1MAOAMAOB
SCHEMBL8536325 0.78 HIF1A (0.42) HIF1AKCNH2KDM1AMAOAMAOB

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