SCHEMBL7417019

SCHEMBL7417019

CCOC(=O)N=NC(=O)OCC.COCCOc1ccccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
HSP90AA1 P07900 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR1 O43613 1/20 0.45
TBXAS1 P24557 1/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL385973 0.86 HSP90AA1 (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28701055 0.85 TSHR (0.61) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28478929 0.82 ALDH1A1 (0.66) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL28695236 0.81 ALDH1A1 (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL10348648 0.81 ALDH1A1 (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL6041989 0.78 TSHR (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL6042513 0.78 TSHR (0.59) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL4431174 0.77 ABCB1 (0.51) MAPTKDM4EALDH1A1TSHRMEN1
SCHEMBL4877407 0.77 MAPT (0.57) MAPTHSP90AA1HTTNPSR1KDM4E
SCHEMBL536427 0.77 MAPT (0.59) MAPTHSP90AA1HTTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 EP disclosed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 WO disclosed