SCHEMBL4075188

SCHEMBL4075188

C#CCN1C(=O)COc2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMO O15229 1/20 0.37
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9831062 0.86 HTT (0.44) TSHRHTTKMOPLK1ALDH1A1
Flumioxazin SCHEMBL29539500 0.82 GRM1 (0.37)
Flumioxazin SCHEMBL39699 0.82 GRM1 (0.37)
Flumioxazin SCHEMBL29088353 0.81 GRM1 (0.37)
Flumioxazin SCHEMBL2231264 0.79
SCHEMBL10504486 0.79 TSHR (0.41) TSHRHTTALDH1A1
SCHEMBL10879051 0.79 KMO (0.35) TSHRHTTKMOPLK1ALDH1A1
Flumioxazin SCHEMBL19641848 0.78 GRM1 (0.39)
SCHEMBL9687032 0.78 BRD4 (0.36) TSHRHTTKMO
SCHEMBL9423272 0.78 SLC5A1 (0.38) TSHRHTTKMOPLK1CYP3A4

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-0170191-B1 TETRAHYDROPHTALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-23 EP claimed
US-4640707-A Tetrahydrophthalimides and their herbicidal use SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-02-03 US claimed
EP-0170191-A2 Tetrahydrophtalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-05 EP claimed
US-7586023-B1 Methods of conferring ppo-inhibiting herbicide resistance to plants by gene manipulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-08 US disclosed
EP-0839193-B1 PORPHYRIN-ACCUMULATING TYPE HERBICIDE RESISTANCE GENE SUMITOMO CHEMICAL CO (JP) 2006-12-20 EP disclosed
US-6160206-A Porphyrin-accumulating type herbicide resistance gene SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-12 US disclosed
EP-0170191-B1 TETRAHYDROPHTALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-23 EP disclosed
US-4880925-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1989-11-14 US disclosed
US-4792605-A TETRAHYDROPHTHALIMIDES; HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1988-12-20 US disclosed
US-4640707-A Tetrahydrophthalimides and their herbicidal use SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-02-03 US disclosed
EP-0170191-A2 Tetrahydrophtalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-05 EP disclosed