SCHEMBL4781850

SCHEMBL4781850

COC(=O)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cn(S(=O)(=O)c4ccccc4)c4cccc(C(C)C)c34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 11/20 0.44
CCR8 P51685 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4784223 0.87 HTR1A (0.42) SFRP1CCR8HTR1AHTR7HTR6
SCHEMBL4784924 0.87 SFRP1 (0.55) SFRP1
SCHEMBL4783673 0.85 CCR8 (0.51) CCR8
SCHEMBL14208234 0.85 HTR6 (0.49) SFRP1CCR8HTR6
SCHEMBL4782531 0.84 SFRP1 (0.53) SFRP1MEN1KMT2AHTR1AHTR7
SCHEMBL4802468 0.83 HTR1A (0.46) HTR1AHTR7HTR6
SCHEMBL4782745 0.82 SFRP1 (0.52) SFRP1CCR8HTR1AHTR7
SCHEMBL14207899 0.81 HTR6 (0.43) MEN1KMT2AHTR1AHTR7HTR6
SCHEMBL4784203 0.81 HTR6 (0.43) HTR1AHTR7HTR6
SCHEMBL4785401 0.81 SFRP1 (0.54) SFRP1MEN1KMT2AEPHX2

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-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed