SCHEMBL29459709

SCHEMBL29459709

CSCC(C)(C)NC(=O)c1c(I)cccc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL552005 1.00 POLB (0.35) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL552006 0.90 NPSR1 (0.38) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL551442 0.84 FABP4 (0.37) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL550487 0.84 ALB (0.40) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL551671 0.84 PBRM1 (0.42) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL2963051 0.84 SMN1; SMN2 (0.36) POLBL3MBTL1KMT2AMEN1ALOX15
SCHEMBL550320 0.80 KMT2A (0.50) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL10211763 0.80 MAPT (0.51) L3MBTL1KMT2AMEN1PKMKDM4E
Iodide SCHEMBL29459706 0.79 KMT2A (0.49) POLBNPSR1L3MBTL1KMT2AMEN1
SCHEMBL28621890 0.79 L3MBTL1 (0.35) POLBNPSR1L3MBTL1KMT2AMEN1

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-109020934-B Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure 绍兴贝斯美化工股份有限公司 2022-03-08 CN claimed
CN-109020934-B Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure 绍兴贝斯美化工股份有限公司 2022-03-08 CN disclosed
CN-109020934-B Preparation method of intermediate containing halogenated benzene ring side chain flubendiamide structure 绍兴贝斯美化工股份有限公司 2022-03-08 CN disclosed