SCHEMBL6597181

SCHEMBL6597181

O=c1nc(C=Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 1.00
NOD1 Q9Y239 3/20 1.00
ALDH1A1 P00352 7/20 0.63
MAPT P10636 7/20 0.63
LMNA P02545 4/20 0.63
HPGD P15428 4/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HSPA1A P0DMV8 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 3/20 0.62
PSD A5PKW4 1/20 0.56
KMT2A Q03164 8/20 0.54
KDM4E B2RXH2 7/20 0.54
MEN1 O00255 7/20 0.54
USP2 O75604 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 5/20 0.48

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
SCHEMBL6597179 1.00 TNF (1.00) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6597450 0.86 TNF (0.75) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6597454 0.86 TNF (0.75) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6594492 0.85 TNF (0.74) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6594496 0.85 TNF (0.74) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6591299 0.83 TNF (0.70) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6591295 0.83 TNF (0.70) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6591510 0.81 TNF (0.68) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6591507 0.81 TNF (0.68) TNFNOD1ALDH1A1MAPTLMNA
SCHEMBL6592445 0.80 TNF (0.66) TNFNOD1ALDH1A1MAPTLMNA

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