SCHEMBL6590163

SCHEMBL6590163

O=c1nc(C=Cc2ccccc2C(F)(F)F)cc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.64
NOD1 Q9Y239 2/20 0.64
RAB9A P51151 1/20 0.64
NFKB1 P19838 1/20 0.45
MAOB P27338 5/20 0.42
KDM4E B2RXH2 2/20 0.40
MAOA P21397 1/20 0.39
BACE1 P56817 1/20 0.39
P4HB P07237 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
IL6 P05231 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6590161 1.00 TNF (0.64) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6591636 0.78 TNF (1.00) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6597657 0.78 TNF (0.76) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6591632 0.78 TNF (1.00) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6597650 0.78 TNF (0.76) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL11024852 0.76 TNF (0.51) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL10149616 0.76 TNF (0.51) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6591446 0.75 TNF (0.83) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6592328 0.75 TNF (0.71) TNFNOD1RAB9ANFKB1MAOB
SCHEMBL6591447 0.75 TNF (0.83) TNFNOD1RAB9ANFKB1MAOB

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