SCHEMBL6529658

SCHEMBL6529658

Cc1ccc(Cl)c(CN(CCC(=O)O)Cc2ccc(/C=C/c3ccccc3)cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.39
HDAC3 O15379 7/20 0.39
HDAC2 Q92769 7/20 0.39
BCL2L1 Q07817 3/20 0.38
BAK1 Q16611 3/20 0.38
HDAC8 Q9BY41 5/20 0.36
NCOR2 Q9Y618 2/20 0.36
KCNH2 Q12809 1/20 0.36
RORC P51449 1/20 0.36
HTT P42858 1/20 0.35
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL6529661 1.00 HDAC1 (0.39) HDAC1HDAC3HDAC2BCL2L1BAK1
SCHEMBL6513945 0.88 HTT (0.40) HDAC1HDAC3HDAC2BCL2L1BAK1
SCHEMBL6511182 0.85 LMNA (0.39) HDAC1HDAC3HDAC2BCL2L1BAK1
SCHEMBL6511178 0.85 LMNA (0.39) HDAC1HDAC3HDAC2BCL2L1BAK1
SCHEMBL6531028 0.81 LMNA (0.36) BCL2L1BAK1RORCHTTLMNA
SCHEMBL6511915 0.79 HTT (0.45) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6511912 0.79 HTT (0.45) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6507843 0.79 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6507841 0.79 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC8NCOR2
SCHEMBL6508462 0.75 MEP1B (0.47) HDAC1HDAC3HDAC2HDAC8NCOR2

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed