SCHEMBL28297948

SCHEMBL28297948

CCC(C(=O)Cl)n1cnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ASAH1 Q13510 1/20 0.41
CYP2C9 P11712 2/20 0.41
IDO1 P14902 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
STAT6 P42226 1/20 0.41
GGPS1 O95749 1/20 0.40

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
SCHEMBL3629200 0.81 HDAC8 (0.49) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL3795625 0.78 HDAC8 (0.55) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL5407954 0.77 HDAC8 (0.51) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL27846962 0.77 HDAC8 (0.53) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL14740086 0.76 HSD17B10 (0.54) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL4064253 0.75 HPGD (0.50) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL3867305 0.74 HPGD (0.60) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL668253 0.74 ASAH1 (0.51) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL5089332 0.73 MEN1 (0.54) DNMT3AHDAC8HPGDHSD17B10KMT2A
SCHEMBL7855409 0.73 MEN1 (0.54) DNMT3AHDAC8HPGDHSD17B10KMT2A

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-105037275-B The method for preparing Zilpaterol and its salt 英特威国际有限公司 2019-05-10 CN disclosed