Guanidine

Guanidine

SCHEMBL29258951

Cc1ccccc1C(=O)c1ccccc1.N=C(N)N

nearest known ligand 0.54

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 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
AKR1C3 P42330 2/20 0.52
MAPK14 Q16539 4/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
PTGS2 P35354 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
CHEK2 O96017 1/20 0.45
POLB P06746 1/20 0.45
MYC P01106 1/20 0.44

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
SCHEMBL29402362 0.90 AKR1C3 (0.61) ALDH1A1GAAMAPTNPC1RAB9A
Benzene SCHEMBL27600962 0.90 AKR1C3 (0.61) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL9451511 0.90 AKR1C3 (0.61) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL236 0.90 AKR1C3 (0.61) ALDH1A1GAAMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL27617106 0.88 AKR1C3 (0.59) ALDH1A1GAAMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL28594496 0.88 AKR1C3 (0.59) ALDH1A1GAAMAPTNPC1RAB9A
Benzophenone SCHEMBL28045477 0.88 ALDH1A1 (0.61) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL23534173 0.86 AKR1C3 (0.63) ALDH1A1GAAMAPTNPC1RAB9A
O-Tolylamine SCHEMBL28857494 0.84 MAPT (0.67) ALDH1A1GAAMAPTNPC1RAB9A
2-Benzoylbenzoic Acid SCHEMBL15641067 0.83 AKR1C3 (0.77) ALDH1A1GAAMAPTAKR1C3HPGD

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-118178405-A Application of mebendazole in preparing medicament for preventing or treating hepatic fibrosis 中国药科大学 2024-06-14 CN disclosed