SCHEMBL23747861

SCHEMBL23747861

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSPB1 P04792 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ EPAS1 Q99814 2/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ ARNT P27540 1/20 0.35
▸ MGMT P16455 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18796279 0.89 ALDH1A1 (0.48) MAPTALDH1A1GAASMN1; SMN2PIN1
SCHEMBL23747859 0.88 TLR8 (0.46) MAPTALDH1A1GAAHSPB1PIN1
SCHEMBL18796303 0.83 MAPT (0.42) MAPTALDH1A1GAAHSPB1SMN1; SMN2
SCHEMBL18795920 0.80 MAPT (0.40) MAPTALDH1A1GAAHSPB1SMN1; SMN2
SCHEMBL23747871 0.79 L3MBTL1 (0.37) ALDH1A1HTTCYP3A4PPARGHPGD
SCHEMBL23747866 0.79 L3MBTL1 (0.37) MAPTALDH1A1GAAHTTCYP3A4
SCHEMBL18796268 0.75 TLR8 (0.48) MAPTALDH1A1GAAPIN1HTT
SCHEMBL18796214 0.75 ALDH1A1 (0.48) MAPTALDH1A1GAASMN1; SMN2PIN1
SCHEMBL18796231 0.74 PIN1 (0.46) MAPTALDH1A1GAAHSPB1SMN1; SMN2
SCHEMBL20506407 0.74 MAOB (0.39) ALDH1A1CYP3A4PPARGHPGDL3MBTL1

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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