SCHEMBL29469896

SCHEMBL29469896

Cc1cccc(C(C)C)c1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 5/20 0.45
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL22693273 1.00 CA1 (0.45) CA1CA2CA9CA12GABRA1
SCHEMBL1954846 0.81 CA1 (0.45) CA1CA2CA9CA12LMNA
SCHEMBL6734425 0.81 FABP3 (0.48) CA1CA2GABRA1GABRB2GABRG2
SCHEMBL20129598 0.79 L3MBTL1 (0.41) CA1CA2CA9CA12GABRA1
SCHEMBL20129739 0.79 CA1 (0.44) CA1CA2CA9CA12GABRA1
SCHEMBL20129596 0.79 L3MBTL1 (0.41) CA1CA2CA9CA12GABRA1
SCHEMBL29469906 0.74 CA1 (0.45) CA1CA2CA9CA12LMNA
SCHEMBL29469942 0.74 TRPA1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL3296375 0.74 TRPA1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL1925949 0.74 CA2 (0.45) CA1CA2CA9CA12CA4

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