SCHEMBL23137147

SCHEMBL23137147

C=CC(=O)N1CCNCC(C)(CC)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TET3 O43151 1/20 0.32
KMT2A Q03164 1/20 0.32
FBXL19 Q6PCT2 1/20 0.32
CXXC5 Q7LFL8 1/20 0.32
TET1 Q8NFU7 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
CXXC4 Q9H2H0 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
JAK3 P52333 4/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL24497417 0.80 KMT2A (0.40) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL21958804 0.80 KMT2A (0.40) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL29333077 0.79 KMT2A (0.35) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL24595770 0.77 JAK3 (0.40) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL25207893 0.73 KMT2A (0.45) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL29027503 0.72 CA2 (0.38) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL277853 0.71 CA2 (0.48) TET3KMT2AFBXL19CXXC5TET1
Hydrochloric Acid SCHEMBL17397450 0.69 CA2 (0.46) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL25809391 0.69 L3MBTL3 (0.45) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL28238499 0.68 JAK3 (0.31) JAK3

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-2021055728-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-03-25 WO disclosed