Guanidine

Guanidine

SCHEMBL27886366

N=C(N)N.O=Cc1cnc2ccccc2c1

nearest known ligand 0.55

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
RAB9A P51151 4/20 0.55
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MGAM O43451 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.42
CYP2A6 P11509 1/20 0.41
CFTR P13569 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL232458 0.90 PDGFRB (0.65) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
Bromide SCHEMBL8728376 0.88 PDGFRB (0.62) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL27600512 0.88 PDGFRB (0.62) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL28205439 0.88 PDGFRB (0.62) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
Iodide SCHEMBL31463336 0.88 PDGFRB (0.62) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL3995725 0.81 RAB9A (0.52) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL27836844 0.80 RAB9A (0.62) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
Cyclohexylamine SCHEMBL7802676 0.78 RAB9A (0.54) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL372557 0.77 KMT2A (0.53) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2
SCHEMBL5717723 0.76 RAB9A (0.75) RAB9APDGFRBPDGFRAKMT2ASMN1; SMN2

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-101111475-B Antiviral compounds and methods BIOTRON LTD 2012-09-05 CN disclosed