SCHEMBL7815872

SCHEMBL7815872

N#Cc1cccn1-c1cccc(C(=O)N=C(N)NOC(=O)/C=C\C(=O)ONC(N)=NC(=O)c2cccc(-n3cccc3C#N)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.35
L3MBTL1 Q9Y468 8/20 0.35
TDP1 Q9NUW8 7/20 0.35
APEX1 P27695 6/20 0.35
RECQL P46063 5/20 0.35
MAPT P10636 5/20 0.35
CTDSP1 Q9GZU7 3/20 0.35
NSD2 O96028 1/20 0.35
NR4A1 P22736 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN7 P35236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 1/20 0.32
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
SCHEMBL7822733 1.00 POLB (0.35) POLBL3MBTL1TDP1APEX1RECQL
SCHEMBL7827019 0.83 SLC9A1 (0.33) POLBL3MBTL1TDP1APEX1RECQL
SCHEMBL1388176 0.82 POLB (0.40) POLBL3MBTL1TDP1APEX1RECQL
Hydrochloric Acid SCHEMBL7831304 0.81 HTR2B (0.39) POLBL3MBTL1TDP1APEX1RECQL
Fumaric Acid SCHEMBL7822728 0.81 POLB (0.40) POLBL3MBTL1TDP1APEX1RECQL
Maleic Acid SCHEMBL7815865 0.81 POLB (0.40) POLBL3MBTL1TDP1APEX1RECQL
Fumaric Acid SCHEMBL7815875 0.81 POLB (0.40) POLBL3MBTL1TDP1APEX1RECQL
SCHEMBL8700205 0.81 POLB (0.34) POLBL3MBTL1TDP1APEX1RECQL
SCHEMBL8704980 0.81 POLB (0.34) POLBL3MBTL1TDP1APEX1RECQL
SCHEMBL7827018 0.79 SLC9A1 (0.44)

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed