Guanidine

Guanidine

SCHEMBL28078381

N=C(N)N.NC(=O)NS(=O)(=O)NC(N)=O

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 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THPO P40225 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.35
PMP22 Q01453 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16455 0.91 LMNA (0.41) TSHRNFKB1LMNABLMCYP1A2
SCHEMBL28227742 0.89 MEN1 (0.32) TSHRNFKB1LMNABLMCYP1A2
Biguanide SCHEMBL28138888 0.87 MEN1 (0.31) TSHRNFKB1LMNABLMCYP1A2
Hydrochloric Acid SCHEMBL28869556 0.85 TSHR (0.37) TSHRNFKB1LMNABLMCYP1A2
SCHEMBL5792645 0.81
SCHEMBL2053410 0.77
SCHEMBL193624 0.75 KDM4E (0.35) BLMCA2CA9KDM4ECYP2D6
SCHEMBL6013580 0.74
SCHEMBL8781705 0.72 MEN1 (0.32) TSHRNFKB1LMNABLMCYP1A2
SCHEMBL161898 0.69

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
CN-102918056-B Novel glucagon analogues 诺沃—诺迪斯克有限公司 2016-08-10 CN disclosed