SCHEMBL8369583

SCHEMBL8369583

CNC(=O)C(=NOC)c1ccccc1[C@H]1O[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
HIF1A Q16665 3/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
EDNRA P25101 1/20 0.32
POLB P06746 2/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8954782 1.00 BRD4 (0.41) BRD4HIF1ACYP2D6TSHREDNRA
SCHEMBL9089339 1.00 BRD4 (0.41) BRD4HIF1ACYP2D6TSHREDNRA
SCHEMBL8954733 1.00 BRD4 (0.41) BRD4HIF1ACYP2D6TSHREDNRA
SCHEMBL8459950 0.79 KAT2B (0.35) BRD4HIF1APOLBKDM4EATM
SCHEMBL8450635 0.79 KAT2B (0.35) BRD4HIF1APOLBKDM4EATM
SCHEMBL8462177 0.79 KAT2B (0.35) BRD4HIF1APOLBKDM4EATM
SCHEMBL8463919 0.77 KDM4E (0.36) BRD4HIF1AKDM4EATMALDH1A1
SCHEMBL8463915 0.77 KDM4E (0.36) BRD4HIF1AKDM4EATMALDH1A1
SCHEMBL8372501 0.74 AKR1C3 (0.47) HIF1ACYP2D6TSHRPOLBKDM4E
SCHEMBL8372505 0.74 AKR1C3 (0.47) HIF1ACYP2D6TSHRPOLBKDM4E

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-0617011-B1 Process for producing alkoxyiminoacetamide compounds SHIONOGI & CO (JP) 1999-01-20 EP disclosed
US-5506358-A USEFUL AS AGRICULTURAL FUNGICIDES SHIONOGI & CO., LTD. (JP) 1996-04-09 US disclosed
EP-0617011-A2 Process for producing alkoxyiminoacetamide compounds SHIONOGI & CO., LTD. (JP) 1994-09-28 EP disclosed