SCHEMBL29469650

SCHEMBL29469650

O=C(NS(=O)(=O)c1c(OCc2ccccc2)cccc1OC1CCC1)c1cc2c(F)cc(N3CCC3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.36
SCN9A Q15858 2/20 0.35
MMP2 P08253 1/20 0.35
ACHE P22303 3/20 0.35
SCN1A P35498 3/20 0.35
SCN8A Q9UQD0 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM1A O60341 2/20 0.34
C5AR1 P21730 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
LRRK2 Q5S007 2/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR3A P46098 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL24333945 1.00 PTGER1 (0.36) PTGER1SCN9AMMP2ACHESCN1A
SCHEMBL24333633 0.89 PTGER1 (0.39) PTGER1MMP2LRRK2
SCHEMBL29469636 0.89 PTGER1 (0.39) PTGER1MMP2LRRK2
SCHEMBL29469915 0.89 SCN9A (0.34) SCN9AMMP2ACHEPDE4APDE4B
SCHEMBL24333336 0.89 SCN9A (0.34) SCN9AMMP2ACHEPDE4APDE4B
SCHEMBL24333397 0.87 MMP2 (0.38) PTGER1MMP2KDM1ALRRK2MAOB
SCHEMBL29469638 0.87 MMP2 (0.38) PTGER1MMP2KDM1ALRRK2MAOB
SCHEMBL24333946 0.83 LRRK2 (0.34) MMP2PDE4APDE4BPDE4CPDE4D
SCHEMBL24334278 0.83 HRH1 (0.35) SCN9ASCN1ASCN8AKCNH2MCHR1
SCHEMBL29469716 0.83 HRH1 (0.35) SCN9ASCN1ASCN8AKCNH2MCHR1

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