SCHEMBL6594262

SCHEMBL6594262

O=c1nc(/C=C/c2cccc3ccccc23)cc(C(F)(F)F)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.73
NOD1 Q9Y239 3/20 0.73
RAB9A P51151 2/20 0.73
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSPA1A P0DMV8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 8/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 4/20 0.48
RECQL P46063 2/20 0.48
USP2 O75604 2/20 0.48
TLR9 Q9NR96 1/20 0.48
PSD A5PKW4 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL6594269 1.00 TNF (0.73) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6591636 0.84 TNF (1.00) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6591632 0.84 TNF (1.00) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594250 0.83 TNF (0.74) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6597454 0.83 TNF (0.75) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6597450 0.83 TNF (0.75) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594246 0.83 TNF (0.74) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6591507 0.81 TNF (0.68) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6591510 0.81 TNF (0.68) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594078 0.81 TNF (0.57) TNFNOD1RAB9AALDH1A1MAPT

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