SCHEMBL24314217

SCHEMBL24314217

CC(C)c1ccc(OC2CCC2)c([S+]([O-])NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31

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
SCHEMBL24313961 0.88 CTSD (0.33) PDE4DPDE4APDE4BPDE4C
SCHEMBL24313682 0.88 ALDH1A1 (0.34)
SCHEMBL24314223 0.87 PDE4A (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL24313680 0.86 KCNH2 (0.39)
SCHEMBL24314317 0.85 PDK2 (0.37)
SCHEMBL24314313 0.85 ACACB (0.36)
SCHEMBL24313698 0.85 SCN9A (0.33)
SCHEMBL24313750 0.83 KAT2B (0.33)
SCHEMBL24314303 0.82 MEN1 (0.35)
SCHEMBL29587379 0.82 SCN9A (0.35) PDE4DPDE4APDE4BPDE4C

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed