Pebulate

Pebulate

SCHEMBL8538189

CCCCN(CC)C(=O)SCCC.CCCCN(CC)C(=O)SCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA9 Q16790 3/20 0.52
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
CA2 P00918 1/20 0.42
ALDH2 P05091 1/20 0.41
MGLL Q99685 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 4/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36

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
Pebulate SCHEMBL63581 1.00 CA12 (0.52) CA12CA1CA9TSHRMAPK1
SCHEMBL11180981 0.88 TSHR (0.59) CA12CA1CA9TSHRMAPK1
SCHEMBL8104956 0.86 TSHR (0.63) CA12CA1CA9TSHRMAPK1
SCHEMBL9420118 0.85 ALDH1A1 (0.49) CA12CA1CA9TSHRMAPK1
Paraquat SCHEMBL9270406 0.82 HPGD (0.44) CA12CA1CA9TSHRMAPK1
Paraquat SCHEMBL28163635 0.81 HPGD (0.43) CA12CA1CA9TSHRALDH1A1
Pebulate SCHEMBL8538191 0.81 CA12 (0.40) CA12CA1CA9TSHRMAPK1
Butylate SCHEMBL11343126 0.81 TSHR (0.53) CA12CA1CA9TSHRMAPK1
Pebulate SCHEMBL8467133 0.80 TSHR (0.37) CA12CA1CA9TSHRMAPK1
SCHEMBL11402152 0.79 CA12 (0.55) CA12CA1CA9TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092310-A1 RNA-GUIDED GENE DRIVES President and Fellows of Harvard College (US) 2016-11-16 EP disclosed
WO-2015105928-A9 RNA-GUIDED GENE DRIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-09-24 WO disclosed
WO-2015105928-A1 RNA-GUIDED GENE DRIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-16 WO 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-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
EP-0548264-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES. DU PONT (US) 1993-06-30 EP disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO 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-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed
EP-0413730-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-27 EP disclosed
EP-0386001-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-12 EP disclosed
WO-1989010694-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed
WO-1989000991-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-09 WO disclosed