SCHEMBL8446121

SCHEMBL8446121

CON=C(C)C(C)=NOCc1ccccc1C(C=O)=NOC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
HIF1A Q16665 8/20 0.36
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL8446120 1.00 PTGS2 (0.37) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL14396129 0.94 PTGS2 (0.35) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8446884 0.79 PTGS2 (0.36) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8446178 0.79 PTGS2 (0.39) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8446205 0.79 PTGS2 (0.36) PTGS2HIF1ALMNAALDH1A1POLB
SCHEMBL8444517 0.77 HIF1A (0.60) PTGS2HIF1ALMNAALDH1A1
SCHEMBL8447507 0.77 HIF1A (0.46) PTGS2HIF1ALMNAALDH1A1MAPT
SCHEMBL8447501 0.77 HIF1A (0.46) PTGS2HIF1ALMNAALDH1A1MAPT
SCHEMBL8444521 0.77 HIF1A (0.60) PTGS2HIF1ALMNAALDH1A1
SCHEMBL7960217 0.77 HIF1A (0.43) HIF1APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893433-A1 ALPHA-ALKOXYIMINOBENZYL DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THEM AS ACTIVE INGREDIENTS SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed