SCHEMBL20204875

SCHEMBL20204875

CC(F)COc1cccc(S(=O)(=O)Nc2ccc(N3CCC(=O)NC3=O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
DDB1 Q16531 5/20 0.40
CRBN Q96SW2 5/20 0.40
BRD4 O60885 1/20 0.40
PKM P14618 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PGR P06401 2/20 0.39
F2 P00734 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
TRIM24 O15164 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL21536069 0.93 ROCK2 (0.42) HTR6DDB1CRBNBRD4PKM
SCHEMBL20204818 0.83 DUT (0.44) HTR6DDB1CRBNBRD4
SCHEMBL21536738 0.83 DUT (0.42) DDB1CRBNBRD4PKMALDH1A1
SCHEMBL21536688 0.80 DDB1 (0.44) DDB1CRBNALDH1A1
SCHEMBL21536686 0.79 DDB1 (0.43) HTR6DDB1CRBNBRD4PKM
SCHEMBL21536067 0.76 DDB1 (0.46) DDB1CRBNPKMALDH1A1
SCHEMBL21536613 0.74 DUT (0.45) DDB1CRBNBRD4PGRF2
SCHEMBL26029515 0.73 DUT (0.41) BRD4PKMALDH1A1PGRF2
SCHEMBL21536579 0.72 DUT (0.47) DDB1CRBNALDH1A1
SCHEMBL21536616 0.70 DUT (0.45) ALDH1A1

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed