SCHEMBL8700205

SCHEMBL8700205

N#Cc1cccn1-c1cccc(C(=O)OC(=O)/C=C/C(=O)ONC(=N)N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.34
L3MBTL1 Q9Y468 7/20 0.34
APEX1 P27695 6/20 0.34
TDP1 Q9NUW8 6/20 0.34
RECQL P46063 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 5/20 0.33
CTDSP1 Q9GZU7 3/20 0.33
NSD2 O96028 1/20 0.33
NR4A1 P22736 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN7 P35236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
PARP1 P09874 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 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
SCHEMBL8704980 1.00 POLB (0.34) POLBL3MBTL1APEX1TDP1RECQL
Guanidine SCHEMBL8700193 0.89 POLB (0.36) POLBL3MBTL1APEX1TDP1RECQL
Guanidine SCHEMBL8704972 0.89 POLB (0.36) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7822733 0.81 POLB (0.35) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7815872 0.81 POLB (0.35) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL8700691 0.77 AOC2 (0.40) POLBL3MBTL1APEX1TDP1RECQL
SCHEMBL7826960 0.77 TP53 (0.48) L3MBTL1MAPTMAPK1TP53ALDH1A1
Hydrochloric Acid SCHEMBL8700230 0.76 AOC2 (0.39) POLBL3MBTL1APEX1TDP1RECQL
Maleic Acid SCHEMBL8704977 0.76 POLB (0.37) POLBL3MBTL1APEX1TDP1RECQL
Fumaric Acid SCHEMBL8700198 0.76 POLB (0.37) POLBL3MBTL1APEX1TDP1RECQL

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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed