SCHEMBL28664162

SCHEMBL28664162

CC#CC(=O)N1CCN(C(=O)NC)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
GPX4 P36969 1/20 0.43
KMT2A Q03164 3/20 0.38
RECQL P46063 1/20 0.35
BTK Q06187 4/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL13176215 0.80 POLB (1.00) POLBKMT2ARECQL
SCHEMBL19909698 0.77 CYP1A2 (0.50) POLBGPX4
SCHEMBL31395022 0.77 CYP1A2 (0.50) GPX4KMT2ABTKMEN1
SCHEMBL32667371 0.76
SCHEMBL17033931 0.76 GPX4 (0.45) GPX4KMT2ABTKMEN1
SCHEMBL19890770 0.74 ALDH1A1 (0.44) GPX4KMT2AMEN1
SCHEMBL16075262 0.72 GPX4 (0.54) GPX4
SCHEMBL19128259 0.72 POLB (0.80) POLBKMT2ARECQL
SCHEMBL1447149 0.72 POLB (0.80) POLBKMT2AMEN1
SCHEMBL12045719 0.72 POLB (0.80) POLBKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN disclosed