Fluoride

Fluoride

SCHEMBL27733510

F.O=S(=O)(O)c1cccc2cccnc12

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.66
▸ CA1 P00915 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA9 Q16790 1/20 0.66
▸ KDM4E B2RXH2 5/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ GAA P10253 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ APOBEC3G Q9HC16 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TSHR P16473 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ COMT P21964 2/20 0.51

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
SCHEMBL30553888 0.98 MAPK1 (0.68) MAPK1CA1CA2CA9KDM4E
SCHEMBL2459763 0.98 MAPK1 (0.68) MAPK1CA1CA2CA9KDM4E
SCHEMBL4108644 0.96 MAPK1 (0.66) MAPK1CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL7525174 0.96 MAPK1 (0.66) MAPK1CA1CA2CA9KDM4E
SCHEMBL31440873 0.84 KDM4E (0.56) MAPK1CA1CA2CA9KDM4E
SCHEMBL28348888 0.83 KDM4E (0.54) MAPK1CA1CA2CA9KDM4E
SCHEMBL7180056 0.81 MAPK1 (0.70) MAPK1CA1CA2CA9KDM4E
SCHEMBL27592567 0.81 MAPK1 (0.70) MAPK1CA1CA2CA9KDM4E
SCHEMBL11679037 0.79 MAPK1 (0.68) MAPK1CA1CA2CA9KDM4E
SCHEMBL50688 0.79 MAPK1 (1.00) MAPK1CA1CA2CA9KDM4E

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
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 — — CN disclosed
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