SCHEMBL7826366

SCHEMBL7826366

NC(N)=NC(=O)c1cc(C(=O)O)cc(-n2cccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
SLC9A3 P48764 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39
AOC2 O75106 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2B P41595 4/20 0.37
HTR7 P34969 3/20 0.37
NR4A1 P22736 1/20 0.37
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
Hydrochloric Acid SCHEMBL7822585 0.92 SLC9A1 (0.42) SLC9A1SLC9A3SLC9A2AOC2HTR2B
Hydrochloric Acid SCHEMBL27401309 0.92 SLC9A1 (0.42) SLC9A1SLC9A3SLC9A2AOC2HTR2B
SCHEMBL1388080 0.90 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2AOC2HTR2B
SCHEMBL9390883 0.86 SLC9A1 (0.41) SLC9A1SLC9A3SLC9A2AOC2HTR2B
Hydrochloric Acid SCHEMBL7816917 0.85 SLC9A1 (0.40) SLC9A1SLC9A3SLC9A2AOC2HTR2B
SCHEMBL8183732 0.84 SLC9A1 (0.44) SLC9A1SLC9A3SLC9A2AOC2HTR2B
Hydrochloric Acid SCHEMBL7823926 0.83 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2AOC2HTR2B
Hydrochloric Acid SCHEMBL7827632 0.83 SLC9A1 (0.39) SLC9A1SLC9A3SLC9A2AOC2HTR2B
SCHEMBL7826352 0.83 KDM4E (0.48) AOC2MRGPRX4KDM4EALDH1A1POLB
SCHEMBL7827298 0.82 KDM4E (0.50) SLC9A1SLC9A3SLC9A2AOC2KDM4E

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 6 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
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US 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
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed