Guanidine

Guanidine

SCHEMBL8707017

CS(=O)(=O)OC(=O)c1ccc(CO)c(-n2cccc2)c1.N=C(N)N

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Guanidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
SLC9A3 P48764 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
F10 P00742 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NLRP3 Q96P20 1/20 0.31
FBP1 P09467 1/20 0.31
AOC2 O75106 1/20 0.31
P4HB P07237 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
Guanidine SCHEMBL8705211 0.85 CYP1A2 (0.40) SLC9A1SLC9A3SLC9A2F2PRSS1
Guanidine SCHEMBL8700578 0.82 PDE4A (0.43) F2PRSS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8707021 0.80 AOC2 (0.36) SLC9A1SLC9A3SLC9A2F2PRSS1
SCHEMBL7816615 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AFBP1
Guanidine SCHEMBL8705526 0.78 AOC2 (0.49) ALDH1A1KMT2AAOC2MAPTNPC1
Guanidine SCHEMBL8707028 0.76 AOC2 (0.34) PRSS1F10ALDH1A1SMN1; SMN2AOC2
SCHEMBL7823170 0.76 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2
SCHEMBL8699878 0.75 AOC2 (0.40) F2PRSS1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8707025 0.75 AOC2 (0.31) F2PRSS1F10ALDH1A1AOC2
Guanidine SCHEMBL8704984 0.74 KMT2A (0.38) SLC9A1SLC9A3SLC9A2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed