SCHEMBL29100700

SCHEMBL29100700

CC(C)(C)OC(=O)C(N)CCc1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 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
SCHEMBL29750186 1.00 LTA4H (0.34) LTA4HLMNAKMT2ANOS1NOS3
SCHEMBL24591257 0.85 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL24591256 0.84 LMNA (0.32) LMNAKMT2A
SCHEMBL8619805 0.84 LTA4H (0.32) LTA4H
SCHEMBL8666907 0.79 SLC1A1 (0.33)
SCHEMBL4408441 0.77 GRM2 (0.43) KMT2A
SCHEMBL5741845 0.77 GRM2 (0.43) KMT2A
SCHEMBL24591247 0.74 NAALAD2 (0.44)
SCHEMBL29100671 0.74 NAALAD2 (0.44)
SCHEMBL3294154 0.73 NOS1 (0.42) LTA4HLMNAKMT2ANOS1NOS3

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
CN-116981486-A Dual mode radiotracer and therapeutic agent 慕尼黑工业大学 2023-10-31 CN disclosed