SCHEMBL7827019

SCHEMBL7827019

CS(=O)(=O)ONC(N)=NC(=O)c1cccc(-n2cccc2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.33
TDP1 Q9NUW8 6/20 0.33
POLB P06746 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
APEX1 P27695 4/20 0.33
RECQL P46063 3/20 0.33
MAPT P10636 2/20 0.33
CTDSP1 Q9GZU7 2/20 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
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATIC P31939 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMO Q99835 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
SCHEMBL7827018 0.86 SLC9A1 (0.44) SLC9A1
SCHEMBL7816491 0.85 KDM4E (0.39) SLC9A1TDP1POLBL3MBTL1RECQL
SCHEMBL7815872 0.83 POLB (0.35) TDP1POLBL3MBTL1APEX1RECQL
SCHEMBL7822733 0.83 POLB (0.35) TDP1POLBL3MBTL1APEX1RECQL
SCHEMBL1388176 0.81 POLB (0.40) SLC9A1TDP1POLBL3MBTL1APEX1
SCHEMBL7827458 0.81 AOC2 (0.48) TDP1POLBL3MBTL1CTDSP1KMT2A
Hydrochloric Acid SCHEMBL7831304 0.81 HTR2B (0.39) SLC9A1TDP1POLBL3MBTL1APEX1
SCHEMBL7823383 0.80 L3MBTL1 (0.44) TDP1POLBL3MBTL1APEX1RECQL
SCHEMBL7822469 0.78 SLC9A1 (0.43) SLC9A1
SCHEMBL27380125 0.78 SLC9A1 (0.43) SLC9A1

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