SCHEMBL22012887

SCHEMBL22012887

CC(C)(O)c1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
TP53 P04637 1/20 0.35
GCK P35557 2/20 0.35
GCKR Q14397 2/20 0.35
CYP2C9 P11712 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RORA P35398 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 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
SCHEMBL24978417 0.82 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL20692252 0.78 CHRNA7 (0.42) TP53ALDH1A1MAPTKMT2AKDM4E
SCHEMBL20914740 0.77 SMN1; SMN2 (0.51) ALDH1A1KDM4EPOLBHTTSMN1; SMN2
SCHEMBL20692311 0.77 ALDH1A1 (0.31) ALDH1A1MEN1MAPTKMT2ARORA
SCHEMBL25034031 0.77 CA1 (0.35) ABCC9ABCC8KCNJ11KCNJ8CYP2C9
SCHEMBL21971206 0.76 GAA (0.52) CYP2C9ALDH1A1MEN1MAPTKMT2A
SCHEMBL22012922 0.75 PSEN1 (0.32) ALDH1A1MEN1MAPTKMT2ARORA
SCHEMBL21893033 0.75 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL10680402 0.74 KEAP1 (0.48) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL29653635 0.74 CA2 (0.46) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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