Guanidine

Guanidine

SCHEMBL4787225

CS(=O)(=O)O.Cc1nc(-c2cc(Cl)ccc2Cl)[nH]c1C(=O)CS(=O)(=O)O.N=C(N)N

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.54
SCN10A Q9Y5Y9 1/20 0.36
F7 P08709 1/20 0.36
PTGES O14684 2/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
CXCR2 P25025 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4787499 0.83 SLC9A1 (0.56) SLC9A1SCN10APTGESRXFP1LMNA
Guanidine SCHEMBL4787257 0.82 SLC9A1 (0.53) SLC9A1F7
SCHEMBL4787788 0.72 SLC9A1 (0.59) SLC9A1RXFP1MAPT
SCHEMBL4787537 0.70 SLC9A1 (0.54) SLC9A1LMNA
SCHEMBL4788030 0.68 SLC9A1 (0.40) SLC9A1
SCHEMBL4786225 0.67 SLC9A1 (0.56) SLC9A1TP53MAPT
SCHEMBL4787521 0.65 SLC9A1 (0.55) SLC9A1
SCHEMBL13321623 0.65 ERCC5 (0.56) TP53LMNAMAPT
SCHEMBL4787338 0.64 SLC9A1 (0.54) SLC9A1MAPT
SCHEMBL4787797 0.63 SLC9A1 (0.45) SLC9A1TP53MAPT

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-2008111794-A1 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-18 WO disclosed