SCHEMBL6593283

SCHEMBL6593283

COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
MAPT P10636 9/20 0.55
POLB P06746 7/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 3/20 0.55
TNF P01375 3/20 0.55
NOD1 Q9Y239 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSPA1A P0DMV8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 5/20 0.55
USP2 O75604 2/20 0.55
RECQL P46063 2/20 0.55
TLR9 Q9NR96 1/20 0.55
PSD A5PKW4 1/20 0.55
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54

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
SCHEMBL6593287 1.00 MEN1 (0.55) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6593831 0.93 MEN1 (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6593826 0.93 MEN1 (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592447 0.86 MAPT (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592450 0.86 MAPT (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592904 0.85 ALDH1A1 (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592902 0.85 ALDH1A1 (0.69) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592843 0.85 MAPT (0.66) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6592844 0.85 MAPT (0.66) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6596117 0.83 MAPT (0.76) MEN1KMT2AMAPTPOLBALDH1A1

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
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed