SCHEMBL8230495

SCHEMBL8230495

C=C(Nc1ccc(C(=O)Nc2cc(-c3cccnc3OC)ccc2N)cc1)OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.45
HDAC2 Q92769 9/20 0.45
HDAC3 O15379 6/20 0.45
MCHR1 Q99705 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL4579569 0.92 HDAC1 (0.46) HDAC1HDAC2HDAC3MCHR1HDAC4
SCHEMBL4579572 0.77 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4580210 0.76 HDAC1 (0.50) HDAC1HDAC2HDAC3
SCHEMBL4581147 0.76 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL14155959 0.75 HDAC1 (0.48) HDAC1HDAC2HDAC3MCHR1HDAC4
SCHEMBL4579369 0.75 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578077 0.75 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL4579390 0.74 KDR (0.51) HDAC1HDAC2HDAC3MCHR1
SCHEMBL4577896 0.74 HDAC1 (0.65) HDAC1HDAC2HDAC3
SCHEMBL4578776 0.73 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7

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
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed