SCHEMBL6772078

SCHEMBL6772078

CCOc1ncc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GLA P06280 1/20 0.41
MITF O75030 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
CCR6 P51684 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12113212 0.87 L3MBTL1 (0.45) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3586448 0.87 AKR1B1 (0.47) MAPTPOLBALDH1A1KDM4EGAA
Acetic Acid SCHEMBL6771644 0.85 L3MBTL1 (0.43) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL7002706 0.85 MAPT (0.42) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL1313734 0.84 MAPT (0.53) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL28403320 0.84 OPRK1 (0.47) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
Nitric Acid SCHEMBL7388296 0.81 MAPT (0.50) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL3378265 0.77 MAPT (0.44) MAPTPOLBALDH1A1GAARAB9A
SCHEMBL11720245 0.77 ALDH1A1 (0.49) MAPTPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL7247518 0.76 TP53 (0.44) MAPTPOLBALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed