SCHEMBL3966052

SCHEMBL3966052

O=C(O)C1=CN=C(C(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ABAT P80404 1/20 0.31
TSHR P16473 2/20 0.30
GABRR1 P24046 2/20 0.30
SLC6A1 P30531 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30

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
Hydrochloric Acid SCHEMBL28339345 0.98 BLM (0.32) POLB
SCHEMBL3649686 0.79 GABRP (0.33) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL12726714 0.74
SCHEMBL9662898 0.71 POLB (0.37) POLB
SCHEMBL16517305 0.69
SCHEMBL1758973 0.67
SCHEMBL14810233 0.67
SCHEMBL1759161 0.67
SCHEMBL1150701 0.67
SCHEMBL11379945 0.67 TSHR (0.31) POLBTSHRGABRR1SLC6A1SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211941-A1 SELECTIVE HERBICIDES ON THE BASIS OF A SUBSTITUTED PHENYLSULFONYLAMINOCARBONYLTRIAZOLINONE AND SAFENERS Bayer Aktiengesellschaft (DE) 2002-06-12 EP claimed
WO-2001015533-A1 SELECTIVE HERBICIDES ON THE BASIS OF A SUBSTITUTED PHENYLSULFONYLAMINOCARBONYLTRIAZOLINONE AND SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-08 WO claimed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-109310082-A Timed release granular agrochemical composition and process for producing the same 拜耳农作物科学股份公司 2019-02-05 CN disclosed
CN-104169284-B Bicyclic pyrazinone derivatives 默克专利股份公司 2017-03-29 CN disclosed
EP-2089137-A1 METHOD FOR THE SEPARATION OF CARBON DIOXIDE USING A POROUS METAL-ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2009-08-19 EP disclosed
WO-2008061958-A1 METHOD FOR THE SEPARATION OF CARBON DIOXIDE USING A POROUS METAL-ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2008-05-29 WO disclosed
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 WO disclosed
WO-1997025326-A1 2-SUBSTITUTED 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed