SCHEMBL28913032

SCHEMBL28913032

CC(C)Sc1cc(OC(N)=O)ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 5/20 0.37
ATM Q13315 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 1/20 0.35
PARP10 Q53GL7 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ADAMTS4 O75173 1/20 0.32
GLA P06280 1/20 0.32
ESRRA P11474 1/20 0.31
EPHX1 P07099 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
SCHEMBL9444016 0.78 MEN1 (0.52) MEN1KMT2ANR1H4ATMGAA
SCHEMBL28643962 0.75 MEN1 (0.48) MEN1KMT2ANR1H4ATMGAA
SCHEMBL21596408 0.75 MEN1 (0.48) MEN1KMT2ANR1H4ATMGAA
SCHEMBL27271884 0.73 KIF11 (0.49) MEN1KMT2ANR1H4ATMGAA
SCHEMBL28701872 0.72 MEN1 (0.44) MEN1KMT2ANR1H4ATMGAA
SCHEMBL28434571 0.71 MEN1 (0.43) MEN1KMT2ANR1H4ATMGAA
SCHEMBL28913034 0.69 MEN1 (0.34) MEN1KMT2A
SCHEMBL10681896 0.68 MEN1 (0.47) MEN1KMT2ANR1H4KIF11POLB
SCHEMBL27487685 0.66 CA2 (0.57) MEN1KMT2ANR1H4GAAL3MBTL1
SCHEMBL28400285 0.66 KIF11 (0.47) MEN1KMT2ANR1H4ATMGAA

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-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed