SCHEMBL10728014

SCHEMBL10728014

O=c1nc(N[N+](=O)[O-])[nH]cc1Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.46
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PLA2G7 Q13093 2/20 0.37
MET P08581 1/20 0.36
MPO P05164 1/20 0.36
DAO P14920 1/20 0.36
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NAMPT P43490 1/20 0.34
NR1D1 P20393 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL9106276 0.85 PLA2G7 (0.36) PLA2G7
SCHEMBL10655828 0.82 TLR7 (0.39) PLA2G7
SCHEMBL10728459 0.77 MGMT (0.32)
SCHEMBL7012765 0.77 PLA2G7 (0.53) PNPCYP19A1CYP11B1CYP11B2PLA2G7
SCHEMBL10656049 0.74 L3MBTL1 (0.33)
SCHEMBL10619999 0.72 ALDH1A1 (0.49) PNPPLA2G7HTTLMNA
SCHEMBL7007907 0.68 PNP (0.55) PNPHRH4HRH3PLA2G7DAO
SCHEMBL10865045 0.67 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2PLA2G7HTT
SCHEMBL8541224 0.67 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2
Peldesine SCHEMBL61136 0.66 PNP (0.69) PNPPLA2G7MPO

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
US-4710498-A ANTIULCER AGENTS IKEDA MOHANDO CO., LTD. (JP) 1987-12-01 US disclosed
EP-0177016-A2 Pyridyloxy derivatives Ikeda Mohando Co., Ltd. (JP) 1986-04-09 EP disclosed