SCHEMBL11520583

SCHEMBL11520583

FC(Oc1ccccc1)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
THRB P10828 1/20 0.33
STS P08842 1/20 0.33
MAOB P27338 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL28979860 1.00 CA1 (0.36) CA1CA2THRBSTSMAOB
SCHEMBL28997433 0.91 THRB (0.35) CA1CA2THRBMAOBHDAC3
Hydrochloric Acid SCHEMBL11522729 0.90 THRB (0.34) CA1CA2THRBMAOBHDAC3
SCHEMBL28357377 0.84 CA1 (0.38) CA1CA2STS
SCHEMBL11123042 0.81 PKM (0.46) CA1CA2STS
SCHEMBL29971333 0.80 CA1 (0.39) CA1CA2STS
SCHEMBL29048865 0.80 CA1 (0.39) CA1CA2STS
SCHEMBL11524066 0.80 CA1 (0.42) CA1CA2STS
SCHEMBL11520579 0.80 CA1 (0.42) CA1CA2STS
SCHEMBL11519176 0.80 CA1 (0.42) CA1CA2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163754-A Fluorinated sulfonamides ICI AMERICAS INC. (US) 1979-08-07 US claimed
US-4163754-A Fluorinated sulfonamides ICI AMERICAS INC. (US) 1979-08-07 US disclosed