SCHEMBL7002020

SCHEMBL7002020

COC(=O)c1nn(Cc2ccc(Br)cc2)c(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
DCTPP1 Q9H773 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL7002027 0.93 ALDH1A1 (0.44) ALDH1A1DCTPP1GAARAB9ANPSR1
SCHEMBL25397001 0.88 MEN1 (0.50) ALDH1A1DCTPP1RAB9ASMN1; SMN2MAPK1
SCHEMBL6995149 0.88 SMN1; SMN2 (0.52) ALDH1A1DCTPP1GAASMN1; SMN2CYP1A2
SCHEMBL6996815 0.87 ALDH1A1 (0.44) ALDH1A1DCTPP1GAARAB9ASMN1; SMN2
SCHEMBL6995156 0.82 SMN1; SMN2 (0.51) ALDH1A1GAASMN1; SMN2CYP1A2MAPT
SCHEMBL6999206 0.81 CYP1A2 (0.47) GAARAB9ASMN1; SMN2CYP1A2PDE4A
SCHEMBL6995979 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL7000260 0.80 SMN1; SMN2 (0.52) ALDH1A1DCTPP1GAASMN1; SMN2CYP1A2
SCHEMBL6996820 0.80 ALDH1A1 (0.43) ALDH1A1DCTPP1GAARAB9ASMN1; SMN2
SCHEMBL6999211 0.77 CYP1A2 (0.48) ALDH1A1GAARAB9ASMN1; SMN2CYP1A2

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