SCHEMBL29469847

SCHEMBL29469847

CCCOc1cccc(CCC)c1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
CA1 P00915 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA7 P43166 3/20 0.44
MCHR1 Q99705 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARD Q03181 2/20 0.39
CYP2A6 P11509 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
CA14 Q9ULX7 3/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CA5A P35218 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 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
SCHEMBL29469889 0.87 CA1 (0.51) CA2CA1CA12CA9CA7
SCHEMBL29469854 0.83 CA12 (0.47) CA2CA1CA12CA9CA7
SCHEMBL3773786 0.80 CA12 (0.45) CA2CA1CA12CA9CA7
SCHEMBL6545305 0.79 L3MBTL1 (0.41) CA2CA1CA12CA9CA7
SCHEMBL29469910 0.78 CA12 (0.43) CA2CA1CA12CA9CA7
SCHEMBL6433420 0.77 PTGES2 (0.41) CA2CA1CA12CA9CA7
SCHEMBL28115130 0.76 CA2 (0.42) CA2CA1CA12CA9CA7
SCHEMBL9568523 0.75 THRB (0.54) CA2CA1CA12CA9LTB4R
SCHEMBL74512 0.75 PPARD (0.54) LTB4RLTB4R2PPARDMAPTNPSR1
SCHEMBL6733544 0.74 LTB4R (0.39) LTB4RLTB4R2PPARDMAPTNPSR1

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