SCHEMBL210060

SCHEMBL210060

COc1ccc(CNc2ccc3nc(C(=O)Nc4ccccc4N)oc3c2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.66
▸ HDAC2 Q92769 6/20 0.64
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DHFR P00374 1/20 0.46

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
SCHEMBL2732976 0.93 HDAC1 (0.66) HDAC1HDAC2L3MBTL1
SCHEMBL5583228 0.82 DHFR (0.54) MAPTDHFR
SCHEMBL1065598 0.82 HDAC1 (0.71) HDAC1HDAC2L3MBTL1
SCHEMBL1060645 0.80 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL1064557 0.78 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL13390608 0.75 HDAC1 (0.60) HDAC1HDAC2L3MBTL1
SCHEMBL2733855 0.75 HDAC1 (0.68) HDAC1HDAC2
SCHEMBL1080617 0.75 HDAC1 (0.71) HDAC1HDAC2L3MBTL1
SCHEMBL211640 0.74 RAB9A (0.53) MAPTL3MBTL1DHFR
SCHEMBL212206 0.74 HDAC1 (0.75) HDAC1HDAC2L3MBTL1

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
Send feedback