SCHEMBL6597650

SCHEMBL6597650

O=c1nc(/C=C/c2ccccc2C(F)(F)F)cc(/C=C/c2ccccc2C(F)(F)F)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.76
NOD1 Q9Y239 3/20 0.76
RAB9A P51151 1/20 0.76
NFKB1 P19838 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
HSPA1A P0DMV8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 5/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL6597657 1.00 TNF (0.76) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6594327 0.86 TNF (0.61) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6591636 0.86 TNF (1.00) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6591632 0.86 TNF (1.00) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6594323 0.86 TNF (0.61) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6592328 0.83 TNF (0.71) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6591447 0.83 TNF (0.83) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6591446 0.83 TNF (0.83) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6592329 0.83 TNF (0.71) TNFNOD1RAB9ANFKB1ALDH1A1
SCHEMBL6665810 0.78 TNF (0.64) TNFNOD1RAB9ANFKB1ALDH1A1

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