SCHEMBL6995982

SCHEMBL6995982

COC(=O)c1nn(Cc2cccnc2)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL6995979 0.94 MAPT (0.48) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6995156 0.89 SMN1; SMN2 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6996820 0.87 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6996336 0.84 TSHR (0.48) MAPTKMT2AKDM4ETSHRMAPK1
SCHEMBL6995149 0.83 SMN1; SMN2 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7002027 0.81 ALDH1A1 (0.44) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7000260 0.80 SMN1; SMN2 (0.52) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL6996815 0.80 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7000021 0.80 KDM4E (0.41) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6996330 0.79 TSHR (0.50) MAPTKMT2AKDM4ETSHRMAPK1

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-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 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-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed