SCHEMBL28292573

SCHEMBL28292573

CC(C)(O)Cc1ccc(OC(N)=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 1/20 0.33
MAPK8 P45983 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SIRT6 Q8N6T7 1/20 0.32
ELANE P08246 1/20 0.32
TMPRSS15 P98073 1/20 0.32
FFAR1 O14842 1/20 0.32
LNPEP Q9UIQ6 2/20 0.31
P4HTM Q9NXG6 1/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28940874 0.80 MEN1 (0.35) KIF11KMT2AMEN1MAPK8SIRT6
SCHEMBL26093046 0.79 KMT2A (0.41) KIF11KMT2AMEN1MAPTPARP10
SCHEMBL28375297 0.79 KMT2A (0.41) KIF11KMT2AMEN1MAPTPARP10
SCHEMBL28941178 0.78 KIF11 (0.34) KIF11KMT2AMEN1CYP4F2CYP4A11
SCHEMBL9519545 0.78 AOC3 (0.39) KIF11KMT2AMEN1MAPTPARP10
SCHEMBL28292551 0.78 LNPEP (0.46) KMT2AMEN1LNPEP
SCHEMBL28292591 0.76 KIF11 (0.39) KIF11KMT2AMEN1MAPTPARP10
SCHEMBL28292626 0.76 KMT2A (0.39) KIF11KMT2AMEN1PPARAMAPT
SCHEMBL26640548 0.76 SYK (0.39) KIF11KMT2AMEN1MAPTPARP10
SCHEMBL28286228 0.75 KMT2A (0.49) KIF11KMT2AMEN1PARP10SIRT6

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 3 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
CN-109689647-A The compound that bicyclic heteroaryl replaces 百时美施贵宝公司 2019-04-26 CN disclosed