SCHEMBL30366232

SCHEMBL30366232

CCS(=O)(=O)N1CCNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
PKM P14618 3/20 0.47
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
TSHR P16473 1/20 0.40
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CDA P32320 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL30366231 0.89 GFER (0.46) GFERPKMRAB9AGLATOP2A
SCHEMBL16254687 0.86 GFER (0.43) GFERPKMRAB9AGLATOP2A
SCHEMBL4411179 0.82 PKM (0.43) GFERPKMRAB9AGLATOP2A
SCHEMBL3558395 0.82 GFER (0.51) GFERPKMRAB9AGLATOP2A
SCHEMBL18627868 0.79 PKM (0.54) GFERPKMRAB9AGLATOP2A
SCHEMBL1487124 0.79 PKM (0.50) GFERPKMRAB9AGLATOP2A
SCHEMBL16235860 0.79 PKM (0.44) GFERPKMRAB9AGLATOP2A
SCHEMBL25088614 0.79 GFER (0.41) GFERPKMRAB9AGLATOP2A
SCHEMBL11956999 0.79 TOP2A (0.42) GFERPKMRAB9AGLATOP2A
SCHEMBL19958521 0.79 GFER (0.41) GFERPKMRAB9AGLATOP2A

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