SCHEMBL8926773

SCHEMBL8926773

[CH2]c1ccccc1OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTNNB1 P35222 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
BLM P54132 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL7029967 0.84 KMT2A (0.52) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL29728552 0.84 KMT2A (0.52) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL87637 0.78 PTGS2 (0.57) KDM4EHTTMAPTHSD17B10TSHR
SCHEMBL29728528 0.77 KMT2A (0.46) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL3952526 0.76 CA1 (0.59) KMT2AKDM4EHTTMAPTTSHR
SCHEMBL29463214 0.76 GAA (0.50) KMT2AMEN1CTNNB1KDM4EMAPT
SCHEMBL32677394 0.76 SMN1; SMN2 (0.49) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL142738 0.76 SMN1; SMN2 (0.49) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL32677395 0.76 SMN1; SMN2 (0.49) KMT2AMEN1CTNNB1IRAK4KDM4E
SCHEMBL140239 0.76 GAA (0.50) KMT2AMEN1CTNNB1KDM4EMAPT

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
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed