SCHEMBL4733397

SCHEMBL4733397

O=C(O)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 5/20 0.61
MCHR1 Q99705 5/20 0.48
ADRA2A P08913 4/20 0.48
NPY5R Q15761 4/20 0.48
EPHX2 P34913 1/20 0.47
AKR1C3 P42330 2/20 0.46
MAPT P10636 1/20 0.46
IL1RN P18510 1/20 0.46
GALK1 P51570 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4736075 0.87 SFRP1 (0.71) SFRP1EPHX2AKR1C3MAPTIL1RN
SCHEMBL4734355 0.81 SFRP1 (0.75) SFRP1EPHX2MAPTIL1RNGALK1
SCHEMBL4734475 0.80 MCHR1 (0.54) SFRP1MCHR1ADRA2ANPY5R
SCHEMBL4733325 0.79 SFRP1 (0.81) SFRP1EPHX2MAPTIL1RNGALK1
SCHEMBL4735203 0.79 SFRP1 (0.67) SFRP1EPHX2AKR1C3MAPTIL1RN
SCHEMBL4735474 0.79 SFRP1 (0.72) SFRP1EPHX2AKR1C3MAPTIL1RN
SCHEMBL4731278 0.78 SFRP1 (0.71) SFRP1EPHX2AKR1C3MAPTIL1RN
SCHEMBL3006664 0.78 MCHR1 (0.66) MCHR1ADRA2ANPY5R
SCHEMBL4735677 0.78 SFRP1 (0.68) SFRP1EPHX2AKR1C3MAPTIL1RN
SCHEMBL4782887 0.77 SFRP1 (0.72) SFRP1EPHX2MAPTIL1RNGALK1

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-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed