SCHEMBL7827503

SCHEMBL7827503

NC(N)=NC(=O)c1cc(-n2cccc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC9A1 P19634 6/20 0.44
SLC9A2 Q9UBY0 3/20 0.44
SLC9A3 P48764 1/20 0.44
PLAU P00749 1/20 0.39
AOC2 O75106 3/20 0.38
PKM P14618 1/20 0.36
MAPT P10636 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
SCHEMBL14607349 0.81 SLC9A1 (0.55) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL7826071 0.80 ALDH1A1 (0.44) ALDH1A1SLC9A1SLC9A2SLC9A3
SCHEMBL7816131 0.79 SLC9A1 (0.43) KDM4EALDH1A1POLBHPGDMAPK1
Hydrochloric Acid SCHEMBL7816749 0.78 SLC9A1 (0.43) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL130491 0.77 KDM4E (0.74) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL7827914 0.76 AOC2 (0.54) ALDH1A1POLBHPGDSLC9A1SLC9A2
SCHEMBL7815979 0.75 SLC9A1 (0.47) ALDH1A1SLC9A1SLC9A2SLC9A3
SCHEMBL1388132 0.75 AOC2 (0.58) SLC9A1AOC2MAPT
Hydrochloric Acid SCHEMBL7825603 0.74 AOC2 (0.53) ALDH1A1POLBHPGDSLC9A1SLC9A2
Hydrochloric Acid SCHEMBL7830743 0.74 AOC2 (0.56) SLC9A1AOC2MAPT

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