SCHEMBL3470026

SCHEMBL3470026

Cn1nc(-c2ccccc2)cc1NC(=O)c1cn(CCCCCC(=O)Nc2ccccc2N)c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.51
HDAC3 O15379 11/20 0.51
CNR2 P34972 4/20 0.49
HDAC6 Q9UBN7 5/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CNR1 P21554 1/20 0.48
NCOR2 Q9Y618 2/20 0.46
NAMPT P43490 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
SCHEMBL3474510 0.91 HDAC1 (0.48) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3467004 0.89 HDAC1 (0.53) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3467225 0.84 HDAC1 (0.57) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3468073 0.82 CNR2 (0.57) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3467908 0.81 CNR2 (0.54) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL7919216 0.80 HDAC1 (0.58) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3466790 0.80 CNR2 (0.53) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3467952 0.80 HDAC1 (0.54) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3466959 0.79 HDAC1 (0.54) HDAC1HDAC3CNR2HDAC6HDAC2
SCHEMBL3468163 0.79 CNR2 (0.53) HDAC1HDAC3CNR2HDAC6HDAC2

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-2010073078-A2 HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-01 WO claimed