SCHEMBL8534756

SCHEMBL8534756

CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TP53 P04637 6/20 0.57
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 1/20 0.57
NR1I2 O75469 1/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PAX8 Q06710 2/20 0.40
GPX4 P36969 1/20 0.40
JAK2 O60674 1/20 0.38
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
RORC P51449 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL135983 1.00 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL29634930 1.00 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11796525 0.90 TDP1 (0.51) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8100488 0.89 TDP1 (0.76) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL27260855 0.86 TDP1 (0.68) TDP1MEN1KMT2ATP53ALDH1A1
Terbacil SCHEMBL9675980 0.84 TDP1 (0.48) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11233514 0.84 TDP1 (0.59) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8201328 0.83 TP53 (0.59) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL4767509 0.83 TDP1 (0.46) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL9292342 0.83 TP53 (0.58) TDP1MEN1KMT2ATP53ALDH1A1

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
WO-2021086044-A1 NOVEL COMPOUND FOR CROP PROTECTANT 주식회사 엘지화학 2021-05-06 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-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-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-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed