SCHEMBL6996820

SCHEMBL6996820

COC(=O)c1nn(Cc2ccncc2)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
USP2 O75604 1/20 0.41
MAPK10 P53779 1/20 0.41
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AR P10275 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
SCHEMBL6996815 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2USP2MAPK10
SCHEMBL6995156 0.91 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL7002027 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2MAPK10DCTPP1
SCHEMBL6995982 0.87 MAPT (0.47) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL6995149 0.84 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CYP1A2DCTPP1MEN1
SCHEMBL6993863 0.82 CYP1A2 (0.49) ALDH1A1SMN1; SMN2CYP1A2USP2MAPK10
SCHEMBL7000260 0.81 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2CYP1A2DCTPP1MEN1
SCHEMBL7000021 0.81 KDM4E (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL25397001 0.80 MEN1 (0.50) ALDH1A1SMN1; SMN2DCTPP1MEN1KMT2A
SCHEMBL7002020 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2DCTPP1MEN1

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 3 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
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