SCHEMBL29469702

SCHEMBL29469702

COc1cccnc1S(=O)(=O)NC(=O)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KCNH2 Q12809 2/20 0.34
MCHR1 Q99705 2/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 1/20 0.34
HCRTR1 O43613 1/20 0.34
GAA P10253 3/20 0.34
UBE2N P61088 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL29469818 0.88 KMT2A (0.33) GAAALDH1A1PDE4BPDE4DMAPT
SCHEMBL24333991 0.88 KMT2A (0.33) GAAALDH1A1PDE4BPDE4DMAPT
SCHEMBL29469656 0.87 S1PR3 (0.33) MAPTRXFP1LMNAKMT2A
SCHEMBL24333957 0.87 S1PR3 (0.33) MAPTRXFP1LMNAKMT2A
SCHEMBL31525463 0.87 KAT6A (0.41) DRD2DRD4DRD3HTTACHE
SCHEMBL29469666 0.86 ALDH1A1 (0.36) DRD2DRD4DRD3HTTGAA
SCHEMBL24334427 0.86 PDE4B (0.32) HTTALDH1A1PDE4BPDE4DMAPT
SCHEMBL24333372 0.85 DCTPP1 (0.37) GAAALDH1A1PDE4BPDE4DMAPT
SCHEMBL29469870 0.85 DCTPP1 (0.37) GAAALDH1A1PDE4BPDE4DMAPT
SCHEMBL24334396 0.84 FABP4 (0.38) HTTGAAALDH1A1MAPTGFER

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