SCHEMBL22012430

SCHEMBL22012430

CCN=S(N)(=O)c1cnc(C(C)(C)CO[Si](C)(C)C(C)(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LOXL2 Q9Y4K0 3/20 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
SCHEMBL22020357 0.88 LOXL2 (0.31) CA2CA12CA1CA9CA14
SCHEMBL21963203 0.86 LOXL2 (0.30) CA2CA12CA1CA9CA14
SCHEMBL22020358 0.85 CA2 (0.36) CA2CA12CA1CA9CA14
SCHEMBL22020356 0.80 LOXL2 (0.31) LOXL2
SCHEMBL22020743 0.76 LOXL2 (0.30) CA2CA12CA1CA9CA14
SCHEMBL22012428 0.76
SCHEMBL25033903 0.75 LOXL2 (0.32) LOXL2
SCHEMBL21962102 0.75 LOXL2 (0.32) LOXL2
SCHEMBL25034209 0.75 LOXL2 (0.32) LOXL2
SCHEMBL30276705 0.75 LOXL2 (0.32) LOXL2

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed