SCHEMBL6594013

SCHEMBL6594013

O=c1nc(C=Cc2cc(Br)cc(Br)c2O)cc(C(F)(F)F)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.57
NOD1 Q9Y239 3/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSPA1A P0DMV8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
POLB P06746 6/20 0.47
GAA P10253 1/20 0.47
PSD A5PKW4 1/20 0.44
USP2 O75604 2/20 0.43
RECQL P46063 2/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL6594011 1.00 TNF (0.57) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6592184 0.90 TNF (0.47) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6592189 0.90 TNF (0.47) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6596145 0.85 MAPT (0.60) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6596147 0.85 MAPT (0.60) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6593846 0.84 TNF (0.59) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6593850 0.84 TNF (0.59) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594134 0.82 ALDH1A1 (0.63) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594138 0.82 ALDH1A1 (0.63) TNFNOD1RAB9AALDH1A1MAPT
SCHEMBL6594950 0.82 ERN1 (0.45) TNFNOD1RAB9AMAPTLMNA

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
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