SCHEMBL22699009

SCHEMBL22699009

C=C(C)N1CCC(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.39
CDYL Q9Y232 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
HDAC4 P56524 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
SCHEMBL25633197 0.87 L3MBTL3 (0.42) L3MBTL3L3MBTL1
SCHEMBL4550247 0.77 L3MBTL3 (0.58) L3MBTL3L3MBTL1
SCHEMBL14344741 0.77 L3MBTL3 (0.48) L3MBTL3L3MBTL1CDYLCDY1; CDY1BHDAC4
SCHEMBL13328192 0.77 L3MBTL3 (0.44) L3MBTL3L3MBTL1CDYLCDY1; CDY1B
SCHEMBL23916097 0.76 L3MBTL3 (0.31) L3MBTL3
SCHEMBL425964 0.76 L3MBTL3 (0.56) L3MBTL3L3MBTL1CDYLCDY1; CDY1BHDAC4
SCHEMBL22878132 0.76 L3MBTL3 (0.56) L3MBTL3L3MBTL1CDYLCDY1; CDY1BHDAC4
SCHEMBL25663931 0.75 PIK3CD (0.49) L3MBTL3
SCHEMBL24244835 0.75 ALDH1A1 (0.34) L3MBTL3
SCHEMBL27781047 0.74 L3MBTL3 (0.60) L3MBTL3L3MBTL1CDYLCDY1; CDY1BHDAC4

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
EP-3741756-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2020-11-25 EP disclosed