SCHEMBL6995149

SCHEMBL6995149

COC(=O)c1nn(Cc2ccccc2)c(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 5/20 0.45
AR P10275 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.41
MAPK8 P45983 1/20 0.41
HTT P42858 1/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
KLKB1 P03952 1/20 0.41
ELANE P08246 1/20 0.41
CTRB1 P17538 1/20 0.41
DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL6995156 0.94 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2ALDH1A1ARCYP3A4
SCHEMBL7000260 0.92 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2ALDH1A1ARCYP3A4
SCHEMBL6996815 0.89 ALDH1A1 (0.44) SMN1; SMN2CYP1A2ALDH1A1LMNAMEN1
SCHEMBL25397001 0.88 MEN1 (0.50) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7002020 0.88 ALDH1A1 (0.46) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL6995979 0.87 MAPT (0.48) SMN1; SMN2CYP1A2ALDH1A1LMNAMEN1
SCHEMBL6996820 0.84 ALDH1A1 (0.43) SMN1; SMN2CYP1A2ALDH1A1ARLMNA
SCHEMBL7002027 0.83 ALDH1A1 (0.44) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL7002026 0.83 ALDH1A1 (0.43) SMN1; SMN2CYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL6995982 0.83 MAPT (0.47) SMN1; SMN2CYP1A2ALDH1A1LMNAMEN1

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