SCHEMBL7816709

SCHEMBL7816709

NC(N)=NC(=O)c1cccc(-n2c(Cl)ccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.43
HTR2B P41595 12/20 0.43
HTR7 P34969 9/20 0.43
PARP1 P09874 1/20 0.41
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR5A P47898 1/20 0.40

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 SCHEMBL7826938 0.98 HTR2B (0.44) SLC9A1HTR2BHTR7PARP1
SCHEMBL7816484 0.82 KDM4E (0.62) SLC9A1HTR2BHTR7PARP1
SCHEMBL1388132 0.78 AOC2 (0.58) SLC9A1HTR2BHTR7DRD2ADRA1D
Hydrochloric Acid SCHEMBL7830743 0.77 AOC2 (0.56) SLC9A1HTR2BHTR7DRD2ADRA1D
Hydrochloric Acid SCHEMBL8504627 0.76 PARP1 (0.61) SLC9A1HTR2BHTR7PARP1
SCHEMBL7826388 0.74 TP53 (0.60)
SCHEMBL7817151 0.74 SLC9A1 (0.43) SLC9A1HTR2BHTR7PARP1DRD2
SCHEMBL8703968 0.74 AOC2 (0.42) PARP1
Hydrochloric Acid SCHEMBL8703585 0.72 AOC2 (0.41) PARP1
Hydrochloric Acid SCHEMBL7827127 0.72 HTR2B (0.43) SLC9A1HTR2BHTR7PARP1

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