SCHEMBL4730634

SCHEMBL4730634

O=S(=O)(NC1CCNCC1)c1cc2c(cc1Cl)CCc1ccc(F)cc1S2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
BRD4 O60885 3/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
CCR8 P51685 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAP2K4 P45985 3/20 0.34
MAP2K7 O14733 1/20 0.34
ACLY P53396 1/20 0.34
ALOX5AP P20292 1/20 0.34

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
SCHEMBL4732698 0.88 GSTO1 (0.38) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL4730889 0.86 SFRP1 (0.48) WNT3SFRP1HDAC8PSEN1PSEN2
SCHEMBL4731073 0.84 SFRP1 (0.35) WNT3SFRP1HDAC8CCR8ALDH1A1
SCHEMBL4733498 0.84 EPHX2 (0.40) SFRP1HDAC8CCR8ALDH1A1L3MBTL1
SCHEMBL4735151 0.83 BRD4 (0.35) WNT3SFRP1HDAC8PSEN1PSEN2
SCHEMBL4732377 0.81 WNT3 (0.34) WNT3SFRP1PSEN1PSEN2APH1B
SCHEMBL4732378 0.79 CCR8 (0.45) SFRP1BRD4CCR8
SCHEMBL4732823 0.78 TRPV4 (0.34)
SCHEMBL4735405 0.76 HTR1A (0.39) HDAC8ALDH1A1DPP4KCNH2DPP7
SCHEMBL4733255 0.75 BRD4 (0.44) WNT3SFRP1BRD4BRD2BRD3

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