SCHEMBL6595026

SCHEMBL6595026

Oc1nc(/C=C/c2ccccc2C(F)(F)F)cc(/C=C/c2ccccc2C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.58
RAB9A P51151 1/20 0.58
NOD1 Q9Y239 1/20 0.58
NFKB1 P19838 1/20 0.50
MAOB P27338 9/20 0.46
P4HB P07237 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
GRM4 Q14833 1/20 0.43
MAOA P21397 1/20 0.43
BACE1 P56817 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
APP P05067 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6595029 1.00 TNF (0.58) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6593793 0.83 TNF (0.48) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6593788 0.83 TNF (0.48) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6591632 0.74 TNF (1.00) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL28157024 0.74 KMT2A (0.65) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL6597650 0.74 TNF (0.76) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6597657 0.74 TNF (0.76) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6591636 0.74 TNF (1.00) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6591446 0.71 TNF (0.83) TNFRAB9ANOD1NFKB1MAOB
SCHEMBL6592328 0.71 TNF (0.71) TNFRAB9ANOD1NFKB1MAOB

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