SCHEMBL7825774

SCHEMBL7825774

NC(N)=NC(=O)c1ccccc1-n1cccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SLC9A1 P19634 3/20 0.51
SLC9A2 Q9UBY0 2/20 0.51
SLC9A3 P48764 1/20 0.51
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 2/20 0.43
HTR7 P34969 1/20 0.43
KMT2A Q03164 3/20 0.43
ALOX12 P18054 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9392969 0.85 SLC9A1 (0.48) LMNAGAAL3MBTL1ALDH1A1SLC9A1
SCHEMBL7824958 0.81 SLC9A1 (0.53) SLC9A1SLC9A2SLC9A3HTR2BHTR7
SCHEMBL19903092 0.80 ALDH1A1 (0.56) LMNAGAAL3MBTL1ALDH1A1CYP2C9
SCHEMBL607557 0.80 ALDH1A1 (0.65) LMNAGAAL3MBTL1ALDH1A1CYP2C9
SCHEMBL7826920 0.78 SLC9A1 (0.54) LMNAGAAL3MBTL1ALDH1A1SLC9A1
SCHEMBL7826924 0.76 SLC9A1 (0.52) LMNAGAAL3MBTL1ALDH1A1SLC9A1
SCHEMBL8699590 0.74 SLC9A1 (0.56) SLC9A1SLC9A2SLC9A3
SCHEMBL13602342 0.74 SLC9A1 (0.71) SLC9A1SLC9A2SLC9A3
SCHEMBL7822660 0.74 SLC9A1 (0.59) SLC9A1SLC9A2SLC9A3
SCHEMBL27401335 0.74 SLC9A1 (0.59) SLC9A1SLC9A2SLC9A3

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