SCHEMBL3629200

SCHEMBL3629200

C=C(C(N)=O)C(CC)n1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.49
DNMT3A Q9Y6K1 2/20 0.48
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APAF1 O14727 1/20 0.42
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
ASAH1 Q13510 1/20 0.38
GGPS1 O95749 1/20 0.37
FDPS P14324 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
USP5 P45974 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL28297948 0.81 DNMT3A (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL5407954 0.78 HDAC8 (0.51) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL27846962 0.75 HDAC8 (0.53) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL4558108 0.74 ASAH1 (0.50) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL3795625 0.74 HDAC8 (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL11586380 0.73 KMT2A (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL14740086 0.72 HSD17B10 (0.54) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL5089332 0.72 MEN1 (0.54) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL8871621 0.72 MEN1 (0.54) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL433631 0.72 HDAC8 (0.44) HDAC8DNMT3AHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398576-A1 HYDROPHILIC POROUS SUBSTRATES 3M Innovative Properties Company (US) 2011-12-28 EP disclosed
WO-2010096429-A1 HYDROPHILIC POROUS SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-08-26 WO disclosed
US-6590094-B2 Methacrylate resin for use as tool in genetic analysis BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
US-20020106659-A1 Methacrylate resin for use as tool in genetic analysis BAYER AKTIENGESELLSCHAFT (DE) 2002-08-08 US disclosed