SCHEMBL4638020

SCHEMBL4638020

NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cc(C2CCN(CC(=O)c3ccccc3)CC2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
KCNH2 Q12809 2/20 0.47
SFRP1 Q8N474 15/20 0.47
KMT2A Q03164 1/20 0.46
WNT3 P56703 4/20 0.42

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
SCHEMBL4638272 0.83 SFRP1 (0.59) SFRP1WNT3
SCHEMBL4731118 0.77 SFRP1 (0.48) SFRP1WNT3
SCHEMBL4637352 0.74 SFRP1 (0.63) SFRP1WNT3
SCHEMBL4730694 0.73 SFRP1 (0.63) SFRP1
SCHEMBL4638015 0.72 SFRP1 (0.84) SFRP1WNT3
SCHEMBL12384479 0.65 ALDH1A1 (0.56) HTR2AHTR2CKCNH2KMT2A
SCHEMBL12859265 0.65 KMT2A (0.64) HTR2AHTR2CKCNH2KMT2A
SCHEMBL4308106 0.65 ALDH1A1 (0.59) HTR2AHTR2CKCNH2KMT2A
SCHEMBL6583840 0.65 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4618251 0.64 SFRP1 (1.00) 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
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed