SCHEMBL29469840

SCHEMBL29469840

Cc1cccc(C2CCCC2)c1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
PTGS2 P35354 1/20 0.40
CHRNA7 P36544 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL1531218 0.98 PTGS2 (0.42) HTR2CPTGS2CHRNA7CA1CA2
SCHEMBL4286105 0.82 PTGS2 (0.42) HTR2CPTGS2HTR6
SCHEMBL20674413 0.81 PTGES2 (0.43) PTGS2CHRNA7CA1CA2
SCHEMBL3813336 0.81 PTGS2 (0.36) PTGS2CHRNA7CA1CA2
SCHEMBL29469849 0.77 NOS3 (0.42) HTR2CPTGS2CHRNA7CA1CA2
SCHEMBL4159762 0.75 PTGES2 (0.44) HTR2CPTGS2HTR6
SCHEMBL1954846 0.75 CA1 (0.45) CA1CA2
SCHEMBL28562885 0.75 ACMSD (0.43) PTGS2CA1CA2
SCHEMBL9627751 0.73 HTR2C (0.46) HTR2CPTGS2HTR2AHTR2B
SCHEMBL20502275 0.72 PKM (0.42) HTR2CCA1CA2HTR2BHTR6

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-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed