SCHEMBL31497508

SCHEMBL31497508

CC(C)(C)OC(=O)Nc1ccc2[nH]ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
LCK P06239 2/20 0.40
BCHE P06276 1/20 0.40
SCN9A Q15858 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
CYP17A1 P05093 1/20 0.35
ATR Q13535 1/20 0.35
P2RX7 Q99572 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL29510819 0.80 GSK3B (0.40) LCKSCN9ARAB9ANPC1MEN1
SCHEMBL21961534 0.80 GSK3B (0.40) LCKSCN9ARAB9ANPC1MEN1
SCHEMBL7640982 0.80 SCN9A (0.43) LCKSCN9ARAB9ANPC1MEN1
SCHEMBL23616433 0.80 JAK3 (0.51) GSK3BDYRK1A
SCHEMBL7012313 0.79 MAOB (0.57) MAOBEP300CREBBP
SCHEMBL21964493 0.78 LCK (0.43) LCKBCHESCN9ARAB9ANPC1
SCHEMBL29510855 0.78 LCK (0.43) LCKBCHESCN9ARAB9ANPC1
SCHEMBL20762137 0.76 HDAC6 (0.57) MAOBSCN9AGSK3BDYRK1A
SCHEMBL27342109 0.75 MAOB (0.53) MAOBRAB9ANPC1GAAEP300
SCHEMBL29394473 0.74 LCK (0.47) LCKRAB9ANPC1MEN1GAA

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-119490502-A Aromatic heterocyclic pyrrolidones and uses thereof 杭州百新生物医药科技有限公司 2025-02-21 CN disclosed