SCHEMBL29580299

SCHEMBL29580299

CC(C)(C)[Si](C)(C)OCCCNc1ccc(-c2cccnc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 6/20 0.47
TP53 P04637 5/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 3/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL24359424 0.83 MKNK1 (0.39) CYP11B1CYP11B2
SCHEMBL29064869 0.80 MKNK1 (0.43) ABCB1ABCC1CYP11B1CYP11B2
SCHEMBL24335577 0.78 NAMPT (0.41) ABCB1ABCC1
SCHEMBL21878179 0.77 HTT (0.45) POLBTP53MAPT
SCHEMBL1980974 0.76 ABCB1 (0.55) ABCB1ABCC1POLBTP53CYP11B1
SCHEMBL29064835 0.75 LMNA (0.47) POLBMAPT
SCHEMBL17743341 0.73 KAT2B (0.47) POLBMAPT
SCHEMBL28296826 0.73 CYP1A2 (0.57) POLBMAPT
SCHEMBL6370287 0.73 MAPT (0.58) MAPT
SCHEMBL1514945 0.73 KAT2B (0.44) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232438-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE The Governors of the University of Alberta (CA) 2023-08-30 EP disclosed
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed