SCHEMBL6997732

SCHEMBL6997732

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
PKM P14618 2/20 0.42
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6994179 0.90 MEN1 (0.49) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL7005474 0.89 MEN1 (0.53) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL6999112 0.86 MEN1 (0.51) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL7001014 0.85 MEN1 (0.50) SMN1; SMN2MEN1KMT2APKMPOLB
Hydrochloric Acid SCHEMBL7001018 0.85 MEN1 (0.50) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL13008386 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL7003999 0.82 MEN1 (0.50) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL331219 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APKMPOLB
SCHEMBL331776 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL331351 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2APKMPOLB

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 2 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