Guanidine

Guanidine

SCHEMBL28908147

N#Cc1ccc(Cl)cc1.N=C(N)N

nearest known ligand 0.57

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
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NLRP3 Q96P20 1/20 0.53
IDO1 P14902 3/20 0.50
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.41
MMP3 P08254 1/20 0.41
ENPP2 Q13822 1/20 0.41
NSD2 O96028 1/20 0.41

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
Water SCHEMBL27942269 0.85 MAOA (0.73) MAOAMAOBLMNAMAPTTSHR
SCHEMBL72752 0.85
Fluoride SCHEMBL27481173 0.83 MAOA (0.70) MAOAMAOBLMNAMAPTTSHR
SCHEMBL28312718 0.81 MAOA (0.61) MAOAMAOBLMNAMAPTTSHR
SCHEMBL28578951 0.79 PARP15 (0.66) MAOAMAOBLMNAMAPTTSHR
SCHEMBL4446050 0.78 MAOA (0.64) MAOAMAOBLMNAMAPTTSHR
Ammonia Solution, Strong SCHEMBL3939640 0.76 MAOA (0.61) MAOAMAOBLMNAMAPTTSHR
SCHEMBL22086618 0.76 MAOA (0.55) MAOAMAOBLMNAMAPTTSHR
SCHEMBL15902206 0.74 LMNA (0.52) LMNAIDO1CA12CA2CA3
SCHEMBL1348988 0.74 MAOA (0.53) MAOAMAOBLMNAMAPTTSHR

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-112341363-A Synthesis method of 4-chlorobenzenecyanoguanidine 武汉科技大学 2021-02-09 CN disclosed