SCHEMBL25437516

SCHEMBL25437516

CC(c1ccc(F)cc1)(c1ncc(S(N)(=O)=O)cc1CCC#N)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
PTGS2 P35354 3/20 0.32
HSD11B1 P28845 1/20 0.32
SLC6A4 P31645 1/20 0.32
CA1 P00915 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
RORC P51449 5/20 0.32
SLC22A12 Q96S37 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
PTGS1 P23219 1/20 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
SCHEMBL25419381 0.83 SLC22A12 (0.40) ARCA2CA4PTGS2HSD11B1
SCHEMBL25418976 0.68 HSD11B1 (0.38) ARCA2PTGS2HSD11B1CA1
SCHEMBL25420282 0.64 KIF11 (0.53) CA2CA4PTGS2SLC6A4CA1
SCHEMBL31028738 0.59 KDM4E (0.40) CA2CA4PTGS2SLC6A4CA1
SCHEMBL31028676 0.56 PTGS2 (0.45) CA2CA4PTGS2CA1CA5A
SCHEMBL9684079 0.56 CA2 (0.63) CA2CA4CA1CA5ACA9
SCHEMBL4715833 0.56 IDO1 (0.51) SLC6A4
SCHEMBL31248059 0.55 MPO (0.42) SLC6A4
SCHEMBL19926527 0.55 MPO (0.42) SLC6A4
SCHEMBL4718190 0.54 MPO (0.44) SLC6A4CA5ACA9CA5B

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-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed