SCHEMBL29469724

SCHEMBL29469724

Cc1ccc(OC(C)C)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(N4CCC4)cc3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
PTGDR Q13258 4/20 0.36
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CPT2 P23786 2/20 0.33
CPT1A P50416 2/20 0.33
CPT1B Q92523 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL24333981 1.00 MAPT (0.39) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL24333724 0.92 MAPT (0.37) MAPTTP53RXFP1PTGDRGAA
SCHEMBL29469654 0.92 MAPT (0.37) MAPTTP53RXFP1PTGDRGAA
SCHEMBL24333713 0.91 MEN1 (0.37) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL29469810 0.90 MAPT (0.34) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL29469663 0.90 PTGDR (0.35) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL24334009 0.90 MAPT (0.34) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL24334459 0.90 PTGDR (0.35) MAPTTP53RXFP1PTGDRDRD2
SCHEMBL24334437 0.90 KMT2A (0.38) MAPTRXFP1PTGDRDRD2ADRA1D
SCHEMBL24333640 0.88 TSHR (0.43) MAPTTP53LMNAL3MBTL1MEN1

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 4 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 claimed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO claimed
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