SCHEMBL28816826

SCHEMBL28816826

O=S(=O)(c1nc2ccccc2s1)C(F)(F)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.61
▸ PSMB5 P28074 1/20 0.61
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ HTT P42858 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CA5A P35218 1/20 0.42

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
SCHEMBL3275548 0.79 PSMB8 (0.66) PSMB8PSMB5CA1CA2CA12
SCHEMBL8986258 0.78 PSMB8 (0.64) PSMB8PSMB5CA1CA2CA12
SCHEMBL29164335 0.77 PSMB8 (1.00) PSMB8PSMB5CA1CA2CA12
SCHEMBL30817868 0.77 PSMB8 (1.00) PSMB8PSMB5CA1CA2CA12
Benzene SCHEMBL28000606 0.77 PSMB8 (0.72) PSMB8PSMB5CA1CA2CA12
SCHEMBL11973617 0.76 PSMB8 (0.62) PSMB8PSMB5CA1CA2CA12
SCHEMBL24214294 0.75 PSMB8 (0.56) PSMB8PSMB5CA1CA2CA12
SCHEMBL2711265 0.75 PSMB8 (0.75) PSMB8PSMB5CA1CA2CA12
Fluoromethane SCHEMBL28000438 0.74 PSMB8 (0.73) PSMB8PSMB5CA1CA2CA12
SCHEMBL329577 0.73 PSMB8 (0.72) PSMB8PSMB5CA1CA2CA12

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-104356032-A Preparation method for fluorine-containing sulfinate SHANGHAI INST ORGANIC CHEM 2015-02-18 — — CN disclosed
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