SCHEMBL20847607

SCHEMBL20847607

Cc1ccc(CN(C2CCC2)S(=O)(=O)c2c(C)c(F)c(F)c(F)c2F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.49
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 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
SCHEMBL20847615 0.86 RORC (0.47) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL20847611 0.84 HDAC6 (0.42) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL20847790 0.82 RORC (0.53) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL20847470 0.78 HDAC6 (0.50) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL20847721 0.76 RORC (0.48) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL20847621 0.75 USP2 (0.52) HDAC8HDAC6HDAC3HDAC11
SCHEMBL20847759 0.72 HDAC6 (0.52) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL14842541 0.72 RORC (0.62) RORC
SCHEMBL20847617 0.72 HDAC6 (0.40) RORCHDAC8HDAC6HDAC3HDAC11
SCHEMBL14842522 0.71 RORC (0.61) RORC

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
WO-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 WO disclosed