SCHEMBL6995979

SCHEMBL6995979

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6995982 0.94 MAPT (0.47) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6995149 0.87 SMN1; SMN2 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6996815 0.86 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6996330 0.83 TSHR (0.50) MAPTKMT2AKDM4ETSHRMAPK1
SCHEMBL6995156 0.81 SMN1; SMN2 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25397001 0.81 MEN1 (0.50) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL7002020 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL6996820 0.80 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7000260 0.80 SMN1; SMN2 (0.52) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL6996336 0.79 TSHR (0.48) 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