SCHEMBL3783889

SCHEMBL3783889

C[n+]1ccc(Nc2cccc(C(=O)Nc3ccc(Nc4ccnc5ccccc45)cc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 12/20 0.82
DNMT3A Q9Y6K1 8/20 0.82
DNMT3L Q9UJW3 5/20 0.66
EHMT1 Q9H9B1 3/20 0.66
MYC P01106 1/20 0.55
MAP2K3 P46734 1/20 0.55
EHMT2 Q96KQ7 1/20 0.55
DNMT3B Q9UBC3 1/20 0.55
HDAC3 O15379 1/20 0.54
ACHE P22303 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CLK1 P49759 1/20 0.52
FADS1 O60427 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL3782391 1.00 DNMT1 (0.82) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL1889349 0.99 DNMT1 (0.80) DNMT1DNMT3ADNMT3LEHMT1MYC
SCHEMBL12218008 0.92 DNMT1 (0.69) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL1884707 0.92 DNMT1 (0.69) DNMT1DNMT3ADNMT3LEHMT1MYC
SCHEMBL3056602 0.91 DNMT1 (0.80) DNMT1DNMT3ADNMT3LEHMT1MYC
SCHEMBL3056598 0.91 DNMT1 (0.80) DNMT1DNMT3ADNMT3LEHMT1MYC
SCHEMBL12218019 0.91 DNMT1 (0.80) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL3787660 0.91 DNMT1 (0.80) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL1890163 0.90 DNMT1 (0.78) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL1885374 0.90 DNMT1 (0.78) DNMT1DNMT3ADNMT3LEHMT1MYC

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
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
EP-2078008-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2009-07-15 EP disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 WO disclosed