Guanidine

Guanidine

SCHEMBL8699103

CS(=O)(=O)OC(=O)c1cccc(-c2ccoc2)c1.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 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SERPINE1 P05121 1/20 0.39
HDAC2 Q92769 1/20 0.39
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.37
CNR1 P21554 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
PRSS1 P07477 2/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
FYN P06241 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36

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 SCHEMBL8703816 0.81 CA12 (0.44) CA12CA1CA2CA9PRSS1
SCHEMBL8699104 0.78 SERPINE1 (0.47) CA12CA1CA2CA9SERPINE1
SCHEMBL7824615 0.77 CA12 (0.54) CA12CA1CA2CA9SERPINE1
Guanidine SCHEMBL8700429 0.75 CHRM2 (0.36) CA12CA1CA2CA9PRSS1
SCHEMBL7824600 0.74 HDAC2 (0.41) CA12CA1CA2CA9SERPINE1
SCHEMBL7824593 0.74 SLC9A1 (0.45) SERPINE1HDAC2PLAU
Guanidine SCHEMBL8700255 0.74 ATM (0.51) CA1CA2CA9
Guanidine SCHEMBL8705526 0.73 AOC2 (0.49)
SCHEMBL9343106 0.73 POLB (0.50) CA12CA1CA2CA9
SCHEMBL8699108 0.72 SERPINE1 (0.39) CA12CA1CA2CA9SERPINE1

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