Guanidine

Guanidine

SCHEMBL8701424

COc1ccc(-n2cccc2)cc1C(=O)OS(C)(=O)=O.N=C(N)N

nearest known ligand 0.41

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
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GAA P10253 4/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37
TUBB2B Q9BVA1 3/20 0.37

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
SCHEMBL8701429 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HCRTR1HCRTR2GAA
Guanidine SCHEMBL8700578 0.80 PDE4A (0.43) ALDH1A1SMN1; SMN2HCRTR1GAAKDM4E
SCHEMBL7830164 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAATUBB4ATUBB
Guanidine SCHEMBL8705526 0.78 AOC2 (0.49) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8705142 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMRGPRX1TUBB4A
SCHEMBL7815979 0.76 SLC9A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL7815984 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HCRTR1HCRTR2GAA
SCHEMBL5323825 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8701432 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HCRTR1HCRTR2GAA
SCHEMBL7826071 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TUBB4ATUBBTUBA3C

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