SCHEMBL7002706

SCHEMBL7002706

COCCOc1ncc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.39
MITF O75030 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 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
SCHEMBL6443470 0.88 MAPT (0.43) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL6772078 0.85 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2GAA
Nitric Acid SCHEMBL7835145 0.85 MAPT (0.40) MAPTALDH1A1KDM4EGAARAB9A
Formic Acid SCHEMBL7002306 0.84 MAPT (0.34) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL6442334 0.84 MAPT (0.48) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
Nitric Acid SCHEMBL7392245 0.81 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8986027 0.79 LMNA (0.44) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14910676 0.79 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL3375253 0.78 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL1556607 0.78 MAPT (0.38) MAPTALDH1A1GAALMNARAB9A

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