Simetryn

Simetryn

SCHEMBL8409672

CCNc1nc(NCC)nc(SC)n1.CCNc1nc(NCC)nc(SC)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.53
GAA P10253 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Simetryn SCHEMBL67522 1.00 LMNA (0.54) LMNAHTTGAAL3MBTL1CYP1A2
Simetryn SCHEMBL11315375 0.92 HTT (0.47) LMNAHTTGAAL3MBTL1CYP1A2
SCHEMBL17576132 0.92 HTT (0.47) LMNAHTTGAAL3MBTL1CYP1A2
SCHEMBL2697123 0.90 CYP1A2 (0.58) LMNAHTTGAAL3MBTL1CYP1A2
Simetryn SCHEMBL7553931 0.90 LMNA (0.73) LMNAHTTGAAL3MBTL1CYP1A2
Prometryn SCHEMBL7945620 0.87 POLB (0.54) LMNAHTTGAAL3MBTL1CYP1A2
SCHEMBL17576117 0.87 HTT (0.44) LMNAHTTGAAL3MBTL1CYP1A2
SCHEMBL9572490 0.87 HTT (0.44) LMNAHTTGAAL3MBTL1CYP1A2
Ametryne SCHEMBL8541067 0.87 POLB (0.54) LMNAHTTGAAL3MBTL1CYP1A2
Ametryne SCHEMBL65196 0.87 POLB (0.54) LMNAHTTGAAL3MBTL1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863909-A CONSISTS OF SORBITAN/FATTY ACID ESTER SURFACTANT AND OTHER SURFACTANT SELECTED FROM RESIN ACID AND ANIONIC OLIGOMER OR POLYMER TYPE QUATERNARY AMMONIUM SALTS KAO CORPORATION (JP) 1999-01-26 US disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5728649-A CATIONIC SURFACTANTS FOR AGRICULTURE KAO CORPORATION (JP) 1998-03-17 US disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
EP-0019796-A1 Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 EP disclosed
US-4001004-A A-(B-NAPHTHOXY)-PROPIONANILIDE AND A THIOCARBAMATE MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-01-04 US disclosed