SCHEMBL7933352

SCHEMBL7933352

Nc1ccc(-c2ccccc2)cc1NC(=O)CCCCCCC(=O)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.79
HDAC3 O15379 11/20 0.79
HDAC6 Q9UBN7 8/20 0.64
HDAC4 P56524 9/20 0.61
HDAC2 Q92769 8/20 0.61
HDAC7 Q8WUI4 7/20 0.61
HDAC10 Q969S8 7/20 0.61
HDAC11 Q96DB2 7/20 0.61
HDAC8 Q9BY41 7/20 0.61
HDAC9 Q9UKV0 7/20 0.61
HDAC5 Q9UQL6 7/20 0.61
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
MEF2D Q14814 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
KCNH2 Q12809 1/20 0.53

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
SCHEMBL7925851 0.91 HDAC1 (0.65) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL3236645 0.88 HDAC1 (0.61) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL7935357 0.88 HDAC1 (0.60) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL16016614 0.85 HDAC4 (0.73) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL1938885 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL16016657 0.83 HDAC1 (0.77) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL719950 0.82 HDAC1 (0.83) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL3232140 0.81 HDAC1 (0.84) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL1939037 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL16022534 0.80 HDAC1 (0.70) HDAC1HDAC3HDAC6HDAC4HDAC2

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-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed