SCHEMBL4730889

SCHEMBL4730889

O=S(=O)(NC1CCNCC1)c1cc2c(cc1C(F)(F)F)CCc1ccc(F)cc1S2(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 12/20 0.48
WNT3 P56703 5/20 0.48
HDAC8 Q9BY41 1/20 0.36
CCR8 P51685 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4730634 0.86 WNT3 (0.37) SFRP1WNT3HDAC8CCR8BRD4
SCHEMBL4734140 0.84 SFRP1 (0.45) SFRP1WNT3
SCHEMBL4733825 0.84 SFRP1 (0.46) SFRP1WNT3HDAC8BRD4BRD2
SCHEMBL4733987 0.80 SFRP1 (0.58) SFRP1WNT3CCR8BRD4BRD2
SCHEMBL4734145 0.77 SFRP1 (0.45) SFRP1WNT3
SCHEMBL4735405 0.74 HTR1A (0.39) HDAC8
SCHEMBL4732698 0.74 GSTO1 (0.38) HDAC8KDM4EPSEN1PSEN2APH1B
SCHEMBL4733255 0.73 BRD4 (0.44) SFRP1WNT3CCR8BRD4BRD2
SCHEMBL4729713 0.73 HTR1A (0.36) SFRP1WNT3HDAC8BRD4BRD2
SCHEMBL4731866 0.73 SFRP1 (0.67) SFRP1WNT3

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed