SCHEMBL6996815

SCHEMBL6996815

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK10 P53779 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
DCTPP1 Q9H773 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPT P10636 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
SCHEMBL6996820 0.93 ALDH1A1 (0.43) ALDH1A1MAPK10USP2SMN1; SMN2DCTPP1
SCHEMBL6995149 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2DCTPP1CYP1A2MEN1
SCHEMBL25397001 0.87 MEN1 (0.50) ALDH1A1SMN1; SMN2DCTPP1MEN1KMT2A
SCHEMBL7002020 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DCTPP1CYP1A2MEN1
SCHEMBL6995979 0.86 MAPT (0.48) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL6995156 0.83 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL6993859 0.81 CYP1A2 (0.48) ALDH1A1MAPK10USP2SMN1; SMN2CYP1A2
SCHEMBL7000260 0.81 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2DCTPP1CYP1A2MEN1
SCHEMBL7002027 0.80 ALDH1A1 (0.44) ALDH1A1MAPK10SMN1; SMN2DCTPP1CYP1A2
SCHEMBL7002026 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A

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