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Sugi Predict / Compounds / Vernolate

Vernolate

Vernolate

SCHEMBL8538253

CCCSC(=O)N(CCC)CCC.CCCSC(=O)N(CCC)CCC

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ CA12 O43570 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ CA2 P00918 3/20 0.44
▸ TP53 P04637 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ POLB P06746 1/20 0.32

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
Vernolate SCHEMBL55115 1.00 TSHR (0.71) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL11180981 0.91 TSHR (0.59) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL11547988 0.90 TSHR (0.59) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL10749396 0.88 TSHR (0.57) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL10718303 0.86 TSHR (0.65) TSHRMAPK1ALDH1A1HPGDTDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL8541416 0.83 TSHR (1.00) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL9420118 0.83 ALDH1A1 (0.49) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL21221408 0.83 TSHR (0.74) TSHRMAPK1ALDH1A1HPGDTDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL66482 0.83 TSHR (1.00) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL16653294 0.82 TSHR (0.50) TSHRMAPK1ALDH1A1HPGDTDP1

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 11 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
WO-1993003020-A1 HERBICIDAL QUINOXALINYLOXY ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-18 — — 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-0025345-A1 N-cyanoalkyl haloacetamides, preparation thereof, use thereof as herbicide antidotes and compositions comprising same STAUFFER CHEMICAL COMPANY (US) 1981-03-18 — — EP disclosed