SCHEMBL24313698

SCHEMBL24313698

CC(C)(C)c1ccc(OC2CC2)c([S+]([O-])NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
GPR6 P46095 2/20 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
SCHEMBL24313961 0.97 CTSD (0.33) SCN9AGPR6
SCHEMBL24314187 0.92 MCHR1 (0.36) GPR6
SCHEMBL24314322 0.88 SCN9A (0.34) SCN9A
SCHEMBL24313763 0.88 KCNH2 (0.39)
SCHEMBL24313750 0.87 KAT2B (0.33) SCN9A
SCHEMBL24313814 0.86 RXRA (0.35)
SCHEMBL24313977 0.85 CYP1A2 (0.37)
SCHEMBL24314217 0.85 PDE4D (0.31)
SCHEMBL24313699 0.84 SCN9A (0.35) SCN9AGPR6
SCHEMBL29587622 0.84 SCN9A (0.35) SCN9AGPR6

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