SCHEMBL24333336

SCHEMBL24333336

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.34
KAT6A Q92794 1/20 0.34
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RORC P51449 1/20 0.33
GPR6 P46095 2/20 0.33
MCHR1 Q99705 2/20 0.33
FABP4 P15090 2/20 0.32
FABP5 Q01469 2/20 0.32
KCNH2 Q12809 1/20 0.32
ACHE P22303 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
SCHEMBL29469915 1.00 SCN9A (0.34) SCN9AKAT6APDE4DPDE4APDE4B
SCHEMBL24333945 0.89 PTGER1 (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL29469650 0.89 PTGER1 (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL29469716 0.86 HRH1 (0.35) SCN9AKAT6ARORCMCHR1FABP4
SCHEMBL24334278 0.86 HRH1 (0.35) SCN9AKAT6ARORCMCHR1FABP4
SCHEMBL29469619 0.85 RORC (0.34) RORCMCHR1KCNH2
SCHEMBL24334422 0.85 ALDH1A1 (0.34) RORCMCHR1KCNH2
SCHEMBL29469646 0.85 ALDH1A1 (0.34) RORCMCHR1KCNH2
SCHEMBL24333795 0.82 ALDH1A1 (0.36) SCN9ARORCGPR6FABP4FABP5
SCHEMBL29469633 0.82 ALDH1A1 (0.36) SCN9ARORCGPR6FABP4FABP5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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