Sugi Predict

Sugi Predict / Compounds / SCHEMBL8529279

SCHEMBL8529279

SCHEMBL8529279

CNC(=O)C(=NOC)c1ccccc1COc1ccc(C2CCc3c(C)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.45
▸ KCNH2 Q12809 4/20 0.39
▸ ADRA1A P35348 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ SCN3A Q9NY46 2/20 0.33

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 0.88 HIF1A (0.46) HIF1AKCNH2MAOB
SCHEMBL8529479 0.84 MAPK1 (0.47) HIF1AKCNH2
SCHEMBL8526539 0.83 HIF1A (0.46) HIF1AKCNH2SCN3A
SCHEMBL8530604 0.83 HIF1A (0.50) HIF1AKCNH2MAOBSCN3A
SCHEMBL8527006 0.81 HIF1A (0.46) HIF1AKCNH2SCN3A
SCHEMBL8096251 0.79 HIF1A (0.56) HIF1AMAOBFFAR1
SCHEMBL8096246 0.79 HIF1A (0.56) HIF1AMAOBFFAR1
SCHEMBL8369944 0.79 HIF1A (0.56) HIF1AMAOBFFAR1
SCHEMBL8369852 0.78 HIF1A (0.63) HIF1A
SCHEMBL8369854 0.78 HIF1A (0.63) 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