Guanidine

Guanidine

SCHEMBL9056501

CCCCCCCCCCCCOC(=O)c1ccccc1C.N=C(N)N

nearest known ligand 0.70

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
ALDH1A1 P00352 8/20 0.70
TSHR P16473 5/20 0.70
LMNA P02545 5/20 0.70
CYP3A4 P08684 3/20 0.68
MAPK1 P28482 3/20 0.68
TP53 P04637 1/20 0.68
KDM4E B2RXH2 3/20 0.66
HSD17B10 Q99714 2/20 0.66
POLB P06746 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL15987720 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28106548 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6057066 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15987525 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5709964 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15987671 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28487576 0.93 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
Guanidine SCHEMBL27824211 0.91 ALDH1A1 (0.84) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8661935 0.91 TSHR (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
Guanidine SCHEMBL27443151 0.90 ALDH1A1 (0.82) ALDH1A1TSHRLMNACYP3A4MAPK1

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
WO-1996015107-A1 DITHIOCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-05-23 WO disclosed