SCHEMBL3557879

SCHEMBL3557879

Nc1nc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HDAC2 Q92769 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 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
SCHEMBL1058430 0.91 HDAC1 (0.62) HDAC1LMNAHDAC2KDM4EUSP2
SCHEMBL8346243 0.88 HDAC1 (0.54) HDAC1HDAC2
SCHEMBL211529 0.86 HDAC1 (0.58) HDAC1LMNAKMT2AHDAC2KDM4E
SCHEMBL6189800 0.74 NR1H4 (0.43) HDAC1LMNAMEN1KMT2AKDM4E
SCHEMBL1064676 0.74 HDAC1 (0.71) HDAC1HDAC2
SCHEMBL1063736 0.71 HDAC1 (0.87) HDAC1HDAC2
SCHEMBL1060063 0.70 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL1065072 0.70 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL1062068 0.70 HDAC1 (0.58) HDAC1HDAC2
SCHEMBL1066875 0.69 HDAC1 (0.67) HDAC1MEN1KMT2AHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed