SCHEMBL8711326

SCHEMBL8711326

C#CCON=C(C(C)=NOCc1ccccc1C(=COC)C(=O)OC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
HIF1A Q16665 7/20 0.37
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6841787 1.00 PTGS2 (0.38) PTGS2HIF1AKDM4ESMN1; SMN2TDP1
SCHEMBL6839059 0.93 PTGS2 (0.34) PTGS2HIF1ASMN1; SMN2NPC1
SCHEMBL828229 0.88 HIF1A (0.47) PTGS2HIF1AKDM4ESMN1; SMN2TDP1
SCHEMBL828228 0.88 HIF1A (0.47) PTGS2HIF1AKDM4ESMN1; SMN2TDP1
SCHEMBL7743204 0.86 MAOB (0.39) HIF1A
SCHEMBL7743200 0.86 MAOB (0.39) HIF1A
SCHEMBL8725188 0.84 HIF1A (0.40) PTGS2HIF1A
SCHEMBL8725191 0.84 HIF1A (0.40) PTGS2HIF1A
SCHEMBL7863544 0.84 HIF1A (0.40) PTGS2HIF1A
SCHEMBL7736847 0.83 MAOB (0.45) HIF1AL3MBTL1

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
EP-0876333-A1 PROCESS FOR THE PREPARATION OF PESTICIDES Novartis AG (CH) 1998-11-11 EP disclosed
WO-1997020808-A1 PROCESS FOR THE PREPARATION OF PESTICIDES NOVARTIS AG (CH) 1997-06-12 WO disclosed