SCHEMBL7828105

SCHEMBL7828105

N#Cc1cccn1-c1cccc(C(=O)N=C(N)N)c1.O=S(=O)(O)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 3/20 0.33
APEX1 P27695 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RECQL P46063 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 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
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.89 SLC9A1 (0.44) SLC9A1
SCHEMBL1388176 0.88 POLB (0.40) SLC9A1CYP3A4CYP2C9CYP2C19POLB
Hydrochloric Acid SCHEMBL7831304 0.87 HTR2B (0.39) SLC9A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL8704970 0.82 AOC2 (0.35) POLBAPEX1TDP1L3MBTL1RECQL
Maleic Acid SCHEMBL7815865 0.82 POLB (0.40) SLC9A1CYP3A4CYP2C9CYP2C19POLB
Fumaric Acid SCHEMBL7815875 0.82 POLB (0.40) SLC9A1CYP3A4CYP2C9CYP2C19POLB
Fumaric Acid SCHEMBL7822728 0.82 POLB (0.40) SLC9A1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL27380125 0.80 SLC9A1 (0.43) SLC9A1
SCHEMBL7822469 0.80 SLC9A1 (0.43) SLC9A1
Citric Acid SCHEMBL27403231 0.79 POLB (0.34) SLC9A1CYP3A4CYP2C9CYP2C19POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed