SCHEMBL28940932

SCHEMBL28940932

CC(C)(CO)CNC(=O)c1ccc(OC(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
SCN9A Q15858 3/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.37
GABRA5 P31644 2/20 0.37
IKBKE Q14164 1/20 0.37
AURKB Q96GD4 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL28292577 0.88 CCNC (0.48) CNR2L3MBTL1CCNCCDK8CDK19
SCHEMBL28940894 0.82 CCNC (0.39) CNR2L3MBTL1CCNCCDK8CDK19
SCHEMBL28292566 0.81 MAOB (0.49) L3MBTL1SCN9AMAPTMAOB
SCHEMBL28294317 0.81 SCN9A (0.45) CCNCCDK8CDK19SCN9AMAOB
SCHEMBL28292586 0.77 SCN9A (0.44) SCN9AMAOB
SCHEMBL28940985 0.77 SCN9A (0.44) SCN9AMAOB
SCHEMBL28284688 0.77 CCNC (0.43) CCNCCDK8CDK19MAPT
SCHEMBL22341957 0.74 CNR2 (0.48) CNR2
SCHEMBL28292579 0.72 CNR2 (0.50) CNR2SCN9AMAOB
SCHEMBL28940978 0.72 SCN9A (0.39) CNR2CCNCCDK8CDK19SCN9A

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed