SCHEMBL6596117

SCHEMBL6596117

O=c1nc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
LMNA P02545 5/20 0.76
POLB P06746 3/20 0.76
HPGD P15428 2/20 0.76
PSD A5PKW4 1/20 0.68
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TNF P01375 3/20 0.60
NOD1 Q9Y239 3/20 0.60
HTT P42858 2/20 0.60
HSPA1A P0DMV8 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 4/20 0.57
RECQL P46063 2/20 0.57
USP2 O75604 2/20 0.57
TLR9 Q9NR96 1/20 0.57
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
SCHEMBL6596121 1.00 MAPT (0.76) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6595066 0.89 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6595069 0.89 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592402 0.86 MAPT (1.00) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592407 0.86 MAPT (1.00) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592844 0.85 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592450 0.85 MAPT (0.69) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592843 0.85 MAPT (0.66) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6592447 0.85 MAPT (0.69) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6595522 0.85 KMT2A (0.66) MAPTMEN1KMT2ALMNAPOLB

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-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed