SCHEMBL8911996

SCHEMBL8911996

O=c1[nH]c2ccc(-n3ccnc3)cc2n(O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.51
CRBN Q96SW2 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
TBXAS1 P24557 1/20 0.45
CYP3A4 P08684 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
IDH1 O75874 1/20 0.43
ENPP2 Q13822 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CHEK1 O14757 1/20 0.41
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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 SCHEMBL8130929 0.83 PGR (0.47) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8200981 0.81 SLC22A6 (0.45) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8138996 0.80 SLC22A6 (0.44) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8200679 0.79 SLC22A6 (0.43) PGRCRBNPDE3BPDE3ATBXAS1
SCHEMBL21676341 0.79 GRIK1 (0.52) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8145152 0.78 PGR (0.43) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8203289 0.78 SLC22A6 (0.43) PGRCRBNPDE3BPDE3ATBXAS1
SCHEMBL7969712 0.78 PGR (0.47) PGRCRBNPDE3BPDE3ATBXAS1
Hydrochloric Acid SCHEMBL8200921 0.77 SLC22A6 (0.42) PGRIDH1CHEK1
Hydrochloric Acid SCHEMBL8201434 0.77 SLC22A6 (0.42) PGRIDH1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed