SCHEMBL6131205

SCHEMBL6131205

Cc1n[nH]c(C)c1Cc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
AR P10275 1/20 0.58
HDAC1 Q13547 17/20 0.56
HDAC2 Q92769 7/20 0.54
HDAC3 O15379 6/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC6 Q9UBN7 3/20 0.51
NCOR1 O75376 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL8236120 0.77 HDAC1 (0.48) HDAC1HDAC2HDAC6
SCHEMBL1065409 0.76 HDAC1 (0.58) ARHDAC1HDAC2HDAC3NCOR2
SCHEMBL1065410 0.76 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL8279067 0.75 HDAC1 (0.71) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL2733350 0.75 HDAC1 (0.80) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL4064130 0.75 MEN1 (1.00) MEN1LMNAKMT2AAR
SCHEMBL8401704 0.74 HDAC1 (0.89) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL4715033 0.73 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL211677 0.73 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL211107 0.73 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC6

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-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed