SCHEMBL4780971

SCHEMBL4780971

O=S(=O)(NCCC1CCOCC1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(Br)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
HTR6 P50406 16/20 0.40
NPC1 O15118 1/20 0.37
BCHE P06276 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4783889 0.86 BRD4 (0.43) BRD4HTR6NPC1BCHE
SCHEMBL4800128 0.83 HTR6 (0.43) BRD4HTR6
SCHEMBL4784750 0.80 NSD2 (0.46) HTR6HDAC2HDAC8HDAC6
SCHEMBL4782093 0.79 NPC1 (0.48) HTR6NPC1
SCHEMBL4783496 0.79 NPC1 (0.46) HTR6NPC1
SCHEMBL4783430 0.79 CNR2 (0.48) HTR6NPC1
SCHEMBL4782615 0.78 NPC1 (0.46) HTR6NPC1
SCHEMBL4782077 0.77 NPC1 (0.44) HTR6NPC1BCHE
SCHEMBL4785772 0.75 HTR6 (0.45) HTR6
SCHEMBL14207886 0.75 ALDH1A1 (0.46) HTR6

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
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed