Guanidine

Guanidine

SCHEMBL8703294

Cc1cc(C#N)c(-c2cccc(C(=O)OS(C)(=O)=O)c2)n1C.N=C(N)N

nearest known ligand 0.34

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 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ACHE P22303 2/20 0.32
KAT6A Q92794 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NR1H2 P55055 1/20 0.31
ADORA2A P29274 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL8703297 0.82 KAT6A (0.37) KAT6AKDM4EHRH3
SCHEMBL7825281 0.81 PLAU (0.43) CA12CA1CA2CA9ADORA2A
SCHEMBL8703949 0.80 KDM4E (0.38) KAT6AKDM4ERAB9AHRH3
SCHEMBL7826363 0.79 SLC9A1 (0.47)
SCHEMBL7826367 0.78 SLC9A1 (0.36) CA12CA1CA2CA9KAT6A
SCHEMBL8703300 0.77 HRH3 (0.33) KAT6AMAPK1HRH3
SCHEMBL7830020 0.77 SLC9A1 (0.40)
Guanidine SCHEMBL8706280 0.74 ALDH1A1 (0.42) KDM4E
Guanidine SCHEMBL8700429 0.74 CHRM2 (0.36) CA12CA1CA2CA9MAPK1
Guanidine SCHEMBL8705964 0.74 CA12 (0.35) CA12CA1CA2CA9MAPK1

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