SCHEMBL23747859

SCHEMBL23747859

O=[N+]([O-])c1c(Cl)cccc1Oc1cnc2ccc(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.46
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ EPAS1 Q99814 4/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ PIN1 Q13526 5/20 0.39
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HSPB1 P04792 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ARNT P27540 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL23747861 0.88 MAPT (0.42) MAPTALDH1A1GAAEPAS1VEGFA
SCHEMBL18796268 0.87 TLR8 (0.48) TLR8MAPTALDH1A1GAAPIN1
SCHEMBL18796231 0.82 PIN1 (0.46) TLR8MAPTALDH1A1GAAEPAS1
SCHEMBL23747874 0.80 TLR8 (0.40) TLR8ALDH1A1CNR1CNR2CYP3A4
SCHEMBL18796279 0.78 ALDH1A1 (0.48) MAPTALDH1A1GAAPIN1CYP3A4
SCHEMBL18796214 0.73 ALDH1A1 (0.48) MAPTALDH1A1GAAPIN1CYP3A4
SCHEMBL11497261 0.72 HPGD (0.58) TLR8ALDH1A1GAAEPAS1PIN1
SCHEMBL23747871 0.72 L3MBTL1 (0.37) ALDH1A1CNR1CNR2CYP3A4PPARG
SCHEMBL23747866 0.72 L3MBTL1 (0.37) MAPTALDH1A1GAACNR1CNR2
SCHEMBL10482222 0.72 TLR8 (0.60) TLR8MAPTALDH1A1EPAS1PIN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 — — EP claimed
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