SCHEMBL4731040

SCHEMBL4731040

CC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCN(CC(=O)O)CC3)c(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 3/20 0.42
HTR1A P08908 4/20 0.37
HTR7 P34969 4/20 0.37
CCR3 P51677 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
EPHX2 P34913 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4731048 0.93 SFRP1 (0.42) SFRP1HTR1AHTR7CCR3MEN1
SCHEMBL4736140 0.93 SFRP1 (0.42) SFRP1HTR1AHTR7DRD2HTR6
SCHEMBL4730501 0.89 DPP4 (0.39) SFRP1EPHX2DPP4KCNH2DPP7
SCHEMBL4736144 0.86 SFRP1 (0.42) SFRP1HTR1AHTR7DRD2HTR6
SCHEMBL4735151 0.82 BRD4 (0.35) SFRP1HTR6DPP4KCNH2DPP7
SCHEMBL4730846 0.82 DPP4 (0.39) SFRP1EPHX2DPP4KCNH2DPP7
SCHEMBL4734135 0.82 SFRP1 (0.50) SFRP1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL4730981 0.80 SFRP1 (0.46) SFRP1HTR1AHTR7MEN1KMT2A
SCHEMBL4733107 0.77 SFRP1 (0.43) SFRP1
SCHEMBL4734751 0.76 SFRP1 (0.50) SFRP1MEN1KMT2AEPHX2ALDH1A1

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