SCHEMBL23011990

SCHEMBL23011990

COC(=O)c1cc2c(cc1F)CCCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.45
CRBN Q96SW2 2/20 0.43
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 3/20 0.38
KIF11 P52732 2/20 0.38
GSK3B P49841 1/20 0.37
LMNA P02545 3/20 0.36
THRB P10828 1/20 0.36
INSR P06213 1/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DDB1 Q16531 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL29706757 1.00 MAP3K5 (0.45) MAP3K5CRBNALOX15HTTHSD17B10
SCHEMBL29706811 0.92 CRBN (0.51) MAP3K5CRBNALOX15HTTHSD17B10
SCHEMBL23011967 0.82 MAP3K5 (0.43) MAP3K5CRBNMAPTKIF11GSK3B
SCHEMBL883735 0.81 RAB9A (0.42) HTTHSD17B10MAPTTP53LMNA
SCHEMBL259844 0.79 SMYD3 (0.43) CRBNGSK3BLMNAALDH1A1
SCHEMBL21155050 0.78 CRBN (0.38) CRBNALOX15HTTHSD17B10MAPT
SCHEMBL22469472 0.77 MAPT (0.52) CRBNMAPTKIF11LMNAPKM
SCHEMBL21155117 0.76 PKM (0.45) MAP3K5CRBNALOX15HTTHSD17B10
SCHEMBL25072882 0.75 GAA (0.46) ALOX15HTTHSD17B10MAPTTP53
SCHEMBL30278488 0.75 GAA (0.46) ALOX15HTTHSD17B10MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585616-B Amide derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-114585616-A Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-06-03 CN disclosed
WO-2021031071-A1 AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-02-25 WO disclosed