SCHEMBL31389178

SCHEMBL31389178

CN1C(=O)C(O)(C(C)(C)C)c2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
RAD52 P43351 1/20 0.32
LMNA P02545 2/20 0.32
MYC P01106 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HCRTR1 O43613 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL25890242 0.80 ADORA3 (0.37) PDK2GAAKMT2AMEN1ALDH1A1
SCHEMBL3519201 0.76 LMNA (0.37) GAAL3MBTL1ADORA3ADORA2AADORA1
SCHEMBL31389184 0.75 SCN9A (0.42) PDK2GAAKMT2AMEN1L3MBTL1
SCHEMBL31389172 0.74 RAD52 (0.51) GAAKMT2AMEN1ALDH1A1RAD52
SCHEMBL8687319 0.74 LMNA (0.35) GAAKMT2AMEN1ALDH1A1KCNH2
SCHEMBL21993355 0.73 EGLN1 (0.41) KCNH2
SCHEMBL12990219 0.72 PDK2 (0.36) PDK2KCNH2L3MBTL1ADORA3ADORA2A
SCHEMBL31389183 0.70 PDK2 (0.36) PDK2ALDH1A1RAD52LMNAMAPT
SCHEMBL23558587 0.69 EGLN1 (0.43) KCNH2
SCHEMBL2525874 0.68 BACE1 (0.39) ALDH1A1CYP1A2

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-119264032-A Preparation method of 3-hydroxy-2-indolone compound 苏州大学 2025-01-07 CN disclosed