SCHEMBL11241808

SCHEMBL11241808

C=CCn1ncc(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK5 Q16478 1/20 0.47
ADORA2B P29275 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE3A Q14432 2/20 0.36
CYP3A4 P08684 1/20 0.34
CASP3 P42574 2/20 0.32
ADORA2A P29274 1/20 0.31
LMNA P02545 4/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 2/20 0.31
RECQL P46063 2/20 0.31
POLB P06746 2/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9540945 0.75 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5PDE3A
SCHEMBL12294592 0.75 GRIA1 (0.51) GRIA1GRIA2GRIA4GRIK5PDE3A
SCHEMBL11402130 0.72 GRIA1 (0.49) GRIA1GRIA2GRIA4GRIK5ADORA2B
SCHEMBL11234127 0.70 GRIA1 (0.47) GRIA1GRIA2GRIA4GRIK5ADORA2B
SCHEMBL22119620 0.69 GDA (0.33) ADORA2BADORA3CYP3A4LMNAALDH1A1
SCHEMBL2723681 0.69 PDE3A (0.51) GRIA1GRIA2GRIA4GRIK5ADORA2B
SCHEMBL6268666 0.68 PDE3A (0.47) GRIA1GRIA2GRIA4GRIK5PDE3A
SCHEMBL11302701 0.68 GRIA1 (0.45) GRIA1GRIA2GRIA4GRIK5PDE3A
SCHEMBL30861196 0.67 CYP3A4 (0.48) ADORA2BADORA3CYP3A4ADORA2ALMNA
SCHEMBL22119225 0.66 EGLN1 (0.36) LMNAALDH1A1PKMRECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN claimed
CN-115583919-A Preparation method of 6-oxyalkyl 1,2,4-triazine-3,5 (2H, 4H) -diketone derivative 河北工业大学 2023-01-10 CN claimed
JP-56152468-A None JP disclosed
CN-115583919-B Preparation method of 6-oxyalkyl 1,2, 4-triazine-3, 5 (2H, 4H) -diketone derivative 河北工业大学 2024-04-19 CN disclosed
CN-115583919-A Preparation method of 6-oxyalkyl 1,2,4-triazine-3,5 (2H, 4H) -diketone derivative 河北工业大学 2023-01-10 CN disclosed
US-4327094-A Insecticidal and acaricidal 3,5-dioxo-2,3,4,5-triazine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-27 US disclosed
JP-S56152468-A 3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1981-11-26 JP disclosed
EP-0033163-A2 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine compounds, composition containing them, their use as insecticides and acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-05 EP disclosed