SCHEMBL7004394

SCHEMBL7004394

NC(=O)c1nn(Cc2ccccn2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MGMT P16455 1/20 0.40
ADRA1D P25100 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.37
SIRT1 Q96EB6 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6202269 0.85 SMN1; SMN2 (0.44) KDM4EALDH1A1MGMTADRA1DL3MBTL1
SCHEMBL6200741 0.85 ALDH1A1 (0.39) KDM4EALDH1A1MGMTADRA1DL3MBTL1
SCHEMBL6446623 0.84 NPSR1 (0.41) KDM4EALDH1A1MGMTADRA1DL3MBTL1
SCHEMBL6446531 0.83 SMN1; SMN2 (0.40) KDM4EALDH1A1MGMTADRA1DL3MBTL1
SCHEMBL6446672 0.83 SMN1; SMN2 (0.56) KDM4EALDH1A1MGMTADRA1DL3MBTL1
SCHEMBL7002026 0.81 ALDH1A1 (0.43) KDM4EALDH1A1MGMTL3MBTL1KMT2A
SCHEMBL6995580 0.81 ADRA1D (0.42) KDM4EALDH1A1ADRA1DL3MBTL1KMT2A
SCHEMBL7003298 0.81 ALDH1A1 (0.36) KDM4EALDH1A1MGMTADRA1DL3MBTL1
Hydrochloric Acid SCHEMBL7394668 0.81 SMN1; SMN2 (0.36) KDM4EALDH1A1MGMTADRA1DKMT2A
SCHEMBL7000021 0.80 KDM4E (0.41) KDM4EALDH1A1MGMTL3MBTL1KMT2A

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