SCHEMBL29469700

SCHEMBL29469700

CC(C)c1ccc(OC2CCC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(N4CCC4)cc3o2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 5/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
RORC P51449 1/20 0.33
ACACB O00763 1/20 0.32
MAPT P10636 2/20 0.32
SCN1A P35498 3/20 0.32
SCN8A Q9UQD0 3/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TP53 P04637 1/20 0.32
TRIM24 O15164 1/20 0.32

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
SCHEMBL24333998 1.00 ALDH1A1 (0.34) ALDH1A1RECQLNPSR1SCN9AFABP4
SCHEMBL24333795 0.88 ALDH1A1 (0.36) ALDH1A1SCN9AFABP4FABP5RORC
SCHEMBL29469633 0.88 ALDH1A1 (0.36) ALDH1A1SCN9AFABP4FABP5RORC
SCHEMBL24333358 0.88 SCN9A (0.36) SCN9AFABP4FABP5MAPTTP53
SCHEMBL29469640 0.88 ACACB (0.39) ALDH1A1SCN9AACACBSLC6A9
SCHEMBL24333992 0.88 ACACB (0.39) ALDH1A1SCN9AACACBSLC6A9
SCHEMBL29469664 0.88 ALDH1A1 (0.44) ALDH1A1RECQLNPSR1ACACBMAPT
SCHEMBL24333608 0.87 SCN9A (0.35) ALDH1A1SCN9AFABP4FABP5RORC
SCHEMBL24314216 0.87 SCN9A (0.35) SCN9AFABP4FABP5
SCHEMBL29587379 0.87 SCN9A (0.35) SCN9AFABP4FABP5

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