SCHEMBL30366231

SCHEMBL30366231

CCCS(=O)(=O)N1CCNC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
PKM P14618 3/20 0.43
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 2/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
THRB P10828 2/20 0.36
USP2 O75604 1/20 0.34

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
SCHEMBL16254687 0.90 GFER (0.43) GFERPKMTSHRMAPTL3MBTL1
SCHEMBL30366232 0.89 GFER (0.50) GFERPKMTSHRMAPTMEN1
SCHEMBL4411179 0.83 PKM (0.43) GFERPKMTSHRKMT2ARAB9A
SCHEMBL16235860 0.80 PKM (0.44) GFERPKML3MBTL1KMT2ARAB9A
SCHEMBL25088614 0.80 GFER (0.41) GFERPKMTSHRKDM4ERAB9A
SCHEMBL19958521 0.80 GFER (0.41) GFERPKMTSHRRAB9AGLA
SCHEMBL11956999 0.80 TOP2A (0.42) GFERPKMTSHRRAB9AGLA
SCHEMBL3558395 0.76 GFER (0.51) GFERPKMTSHRKMT2ARAB9A
SCHEMBL25088453 0.74 PKM (0.37) GFERPKML3MBTL1KMT2ARAB9A
SCHEMBL18627868 0.74 PKM (0.54) GFERPKMTSHRMAPTKMT2A

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-112920199-B Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-02-03 CN disclosed