SCHEMBL7935357

SCHEMBL7935357

Nc1ccc(-c2ccccc2)cc1NC(=O)/C=C/CCCCC(=O)Nc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.60
HDAC3 O15379 6/20 0.60
HDAC2 Q92769 4/20 0.52
FAAH O00519 1/20 0.50
HDAC6 Q9UBN7 4/20 0.49
HDAC4 P56524 4/20 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
MEF2D Q14814 1/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 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
SCHEMBL7933352 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2618084 0.81 HDAC1 (0.71) HDAC1HDAC3HDAC2
SCHEMBL7925851 0.80 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL3236645 0.76 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL16016614 0.73 HDAC4 (0.73) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL1938885 0.73 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL16016657 0.72 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL21045372 0.71 LMNA (0.64) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL719950 0.71 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL18255374 0.70 FAAH (0.88) HDAC1HDAC3HDAC2FAAHHDAC6

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