SCHEMBL8534740

SCHEMBL8534740

CNC(=O)C(=NOC)c1ccccc1C=NOCCc1ccc(C2CCc3cc(OC)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.35
GRIN1 Q05586 3/20 0.35
SLC6A9 P48067 1/20 0.34
PPARD Q03181 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NPY5R Q15761 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL8589531 0.74 MAPK1 (0.33)
SCHEMBL8589528 0.74 MAPK1 (0.33)
SCHEMBL13519408 0.73 HDAC1 (0.34) HIF1A
SCHEMBL154410 0.73 HIF1A (0.41) HIF1A
SCHEMBL13519406 0.73 HDAC1 (0.34) HIF1A
SCHEMBL15650134 0.73 HIF1A (0.41) HIF1A
SCHEMBL321895 0.73 HIF1A (0.41) HIF1A
SCHEMBL8526539 0.72 HIF1A (0.46) HIF1A
SCHEMBL8530604 0.72 HIF1A (0.50) HIF1AKDM1AMAOAMAOB
SCHEMBL8528118 0.71 HIF1A (0.46) HIF1AKDM1AMAOAMAOB

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 3 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
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